3-methyl-1h-pyridin-2-one (CED0198283)

Record Information

Version

1.0

Creation Date

2026-08-23 14:15:16 UTC

Update Date

2026-08-23 14:15:16 UTC

SynCED ID

CED0198283

Secondary Accession Numbers

CHEM234155

Identification

Common Name

3-methyl-1h-pyridin-2-one

Class

Small Molecule

Description

3-methyl-1h-pyridin-2-one belongs to the hydropyridines, a subclass of pyridines and derivatives within the organic compounds. This organoheterocyclic compound has the formula C6H7NO and an average molecular weight of 109.13 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₇NO

Average Molecular Mass

109.130 g/mol

Monoisotopic Mass

109.053 g/mol

CAS Registry Number

1003-56-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)

InChI Key

MVKDNXIKAWKCCS-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
907.0 Log mg/kg [510:1600]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000619	Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.	Personal care & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000633	Azo Dyes?Azo dyes are synthetic organic compounds characterized by the presence of one or more azo groups (-N=N-), which are widely used for coloring textiles, leather, and furnishings.	Textiles, leather & furnishings	PubChem
CEDs000648	Nitro Dyes?Nitro dyes are synthetic colorants that contain nitro groups (-NO2) in their chemical structure.	Textiles, leather & furnishings	PubChem
CEDs000659	Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.	Textiles, leather & furnishings	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem
CEDs000743	Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Nonstructural protein 1	Q194T2	Influenza A virus	Predicted (SEA)	Prediction Confidence Score 0.323 Applicability Domain 0.364 Statistical Significance 0.0022 Supporting Reference Compounds 104 E-value 17.1268
Click to view 3D structure	Advanced glycosylation end product-specific receptor	Q63495	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.323 Applicability Domain 0.323 Statistical Significance 1.80e-04 Supporting Reference Compounds 1 E-value 1.40129
Click to view 3D structure	C-C chemokine receptor type 8	P51685	Humans	Predicted (SEA)	Prediction Confidence Score 0.319 Applicability Domain 0.364 Statistical Significance 2.70e-04 Supporting Reference Compounds 17 E-value 2.10193
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.316 Applicability Domain 0.395 Statistical Significance 0.0504 Supporting Reference Compounds 532 E-value 392.36
Click to view 3D structure	C-C chemokine receptor type 1	P32246	Humans	Predicted (SEA)	Prediction Confidence Score 0.315 Applicability Domain 0.364 Statistical Significance 0.0011 Supporting Reference Compounds 54 E-value 8.79696
Click to view 3D structure	Botulinum neurotoxin type A	P0DPI0	Clostridium botulinum	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 0.379 Statistical Significance 3.00e-04 Supporting Reference Compounds 17 E-value 2.33548
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 0.395 Statistical Significance 0.0159 Supporting Reference Compounds 425 E-value 123.858
Click to view 3D structure	Methionine aminopeptidase 2	P50579	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.379 Statistical Significance 3.00e-04 Supporting Reference Compounds 26 E-value 2.33548
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.333 Statistical Significance 0.0089 Supporting Reference Compounds 205 E-value 69.4415
Click to view 3D structure	Poly [ADP-ribose] polymerase 1	P09874	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.387 Statistical Significance 0.011 Supporting Reference Compounds 146 E-value 85.4784
Click to view 3D structure	C-C chemokine receptor type 5	P51681	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.364 Statistical Significance 0.0044 Supporting Reference Compounds 71 E-value 33.9423
Click to view 3D structure	Metallo-beta-lactamase type 2	C7C422	Klebsiella pneumoniae	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.324 Statistical Significance 5.20e-04 Supporting Reference Compounds 26 E-value 4.04816
Click to view 3D structure	D-amino-acid oxidase	P14920	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.565 Statistical Significance 0.0011 Supporting Reference Compounds 32 E-value 8.40772
Click to view 3D structure	Bromodomain-containing protein 4	O60885	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.333 Statistical Significance 0.0315 Supporting Reference Compounds 237 E-value 245.069
Click to view 3D structure	Beta-lactamase	Q44079	Aeromonas hydrophila	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.345 Statistical Significance 0.0011 Supporting Reference Compounds 2 E-value 8.87481
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.379 Statistical Significance 0.0905 Supporting Reference Compounds 406 E-value 704.691
Click to view 3D structure	Type-1 angiotensin II receptor	P30556	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.333 Statistical Significance 0.0359 Supporting Reference Compounds 141 E-value 279.868
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.565 Statistical Significance 0.156 Supporting Reference Compounds 497 E-value 1214.37
Click to view 3D structure	Photoreceptor-specific nuclear receptor	Q9Y5X4	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.31 Statistical Significance 0.0144 Supporting Reference Compounds 90 E-value 112.181
Click to view 3D structure	Tegument protein VP16	P06492	Herpes simplex virus (type 1 / strain 17)	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.31 Statistical Significance 0.0095 Supporting Reference Compounds 75 E-value 74.2682
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.31 Statistical Significance 0.04 Supporting Reference Compounds 166 E-value 311.085
Click to view 3D structure	Nicotinate phosphoribosyltransferase	Q6XQN6	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.345 Statistical Significance 0.0023 Supporting Reference Compounds 12 E-value 18.2946
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.333 Statistical Significance 0.013 Supporting Reference Compounds 108 E-value 101.36
Click to view 3D structure	Catechol O-methyltransferase	P22734	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.324 Statistical Significance 0.0019 Supporting Reference Compounds 15 E-value 15.1806
Click to view 3D structure	Cytochrome P450 2A6	P11509	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.314 Statistical Significance 0.006 Supporting Reference Compounds 68 E-value 46.6317