3-(But-1-enyl)pyridine (CED0191718)

Record Information

Version

1.0

Creation Date

2026-04-05 08:57:58 UTC

Update Date

2026-04-05 08:57:58 UTC

SynCED ID

CED0191718

Secondary Accession Numbers

CHEM097779

Identification

Common Name

3-(But-1-enyl)pyridine

Class

Small Molecule

Description

3-(But-1-enyl)pyridine belongs to the pyridines and derivatives, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C9H11N.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₁N

Average Molecular Mass

Not Available

Monoisotopic Mass

133.089 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/C9H11N/c1-2-3-5-9-6-4-7-10-8-9/h3-8H,2H2,1H3

InChI Key

KTXMSWAHSUYOHZ-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
267.0 Log mg/kg [150:470]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000070	Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.	Automotive & urban infrastructure	Not Available
CEDs000592	Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.	Marine, shipping & aquaculture	Not Available
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	Not Available
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available
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	Not Available
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	Not Available
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	Not Available
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

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	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.618 Statistical Significance 0.0934 Supporting Reference Compounds 953 E-value 727.267
Click to view 3D structure	Cytochrome P450 2B6	P20813	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.3 Statistical Significance 0.0066 Supporting Reference Compounds 150 E-value 51.3026
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.356 Statistical Significance 0.1456 Supporting Reference Compounds 1010 E-value 1133.8
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.36 Applicability Domain 0.618 Statistical Significance 0.0297 Supporting Reference Compounds 955 E-value 231.134
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.339 Applicability Domain 0.383 Statistical Significance 0.0422 Supporting Reference Compounds 1130 E-value 328.368
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.334 Applicability Domain 0.383 Statistical Significance 0.0306 Supporting Reference Compounds 793 E-value 238.063
Click to view 3D structure	Cytochrome P450 2A6	P11509	Humans	Predicted (SEA)	Prediction Confidence Score 0.324 Applicability Domain 0.379 Statistical Significance 7.40e-04 Supporting Reference Compounds 68 E-value 5.76084
Click to view 3D structure	Tryptophan 2,3-dioxygenase	P21643	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.32 Applicability Domain 0.37 Statistical Significance 8.00e-05 Supporting Reference Compounds 3 E-value 0.622794
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.32 Applicability Domain 0.618 Statistical Significance 0.0154 Supporting Reference Compounds 373 E-value 120.121
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 0.618 Statistical Significance 0.024 Supporting Reference Compounds 385 E-value 186.682
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.333 Statistical Significance 0.1443 Supporting Reference Compounds 1538 E-value 1123.68
Click to view 3D structure	Cytochrome P450 1B1	Q16678	Humans	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.383 Statistical Significance 0.0069 Supporting Reference Compounds 88 E-value 53.8717
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.37 Statistical Significance 0.0596 Supporting Reference Compounds 497 E-value 463.67
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.356 Statistical Significance 0.1454 Supporting Reference Compounds 1660 E-value 1131.77
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.618 Statistical Significance 0.0212 Supporting Reference Compounds 310 E-value 165.43
Click to view 3D structure	Nicotinamide phosphoribosyltransferase	P43490	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.37 Statistical Significance 0.0047 Supporting Reference Compounds 33 E-value 36.5891
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.333 Statistical Significance 0.1335 Supporting Reference Compounds 1245 E-value 1039.36
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.618 Statistical Significance 0.0715 Supporting Reference Compounds 861 E-value 556.311
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.356 Statistical Significance 0.104 Supporting Reference Compounds 906 E-value 809.788
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.308 Statistical Significance 0.0772 Supporting Reference Compounds 825 E-value 601.074
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.37 Statistical Significance 0.0425 Supporting Reference Compounds 307 E-value 330.781
Click to view 3D structure	Cytochrome P450 2E1	P05181	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.3 Statistical Significance 6.80e-04 Supporting Reference Compounds 31 E-value 5.29375
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.357 Statistical Significance 0.1602 Supporting Reference Compounds 1157 E-value 1247.14
Click to view 3D structure	Cytochrome P450 11B1, mitochondrial	P15538	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.333 Statistical Significance 0.0044 Supporting Reference Compounds 66 E-value 34.098
Click to view 3D structure	Cytochrome P450 11B2, mitochondrial	P19099	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.333 Statistical Significance 0.0045 Supporting Reference Compounds 62 E-value 35.2657