3-(2,4-dimethylphenyl)pyrrole-2,5-dione (CED0235190)

Record Information

Version

1.0

Creation Date

2026-08-27 18:50:38 UTC

Update Date

2026-08-27 18:50:38 UTC

SynCED ID

CED0235190

Secondary Accession Numbers

CHEM279167

Identification

Common Name

3-(2,4-dimethylphenyl)pyrrole-2,5-dione

Class

Small Molecule

Description

3-(2,4-dimethylphenyl)pyrrole-2,5-dione is an organic compound with the chemical formula C12H11NO2 and an average molecular weight of 201.22 g/mol. 3-(2,4-dimethylphenyl)pyrrole-2,5-dione belongs to the xylenes, a subclass of benzene and substituted derivatives within the organic compounds. This substance is identified as being found in or released from one recorded source: electrical and electronic equipment, specifically superconducting magnets and superconducting coils.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₁₁NO₂

Average Molecular Mass

Not Available

Monoisotopic Mass

201.079 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1=CC(=C(C=C1)C2=CC(=O)NC2=O)C

InChI Identifier

InChI=1S/C12H11NO2/c1-7-3-4-9(8(2)5-7)10-6-11(14)13-12(10)15/h3-6H,1-2H3,(H,13,14,15)

InChI Key

LVPPXNHYWDRVQT-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
1151.0 Log mg/kg [650:2000]	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
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
CEDs000535	Superconducting Magnets And Superconducting Coils?Superconducting magnets and coils are utilized in various applications that require strong magnetic fields, such as magnetic resonance imaging (MRI) and particle accelerators.	Electrical & Electronic Equipment	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

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	Proto-oncogene tyrosine-protein kinase receptor Ret	P07949	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.357 Statistical Significance 0.151 Supporting Reference Compounds 764 E-value 1175.52
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.375 Statistical Significance 0.155 Supporting Reference Compounds 779 E-value 1206.66
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase ROS	P08922	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.375 Statistical Significance 0.1213 Supporting Reference Compounds 430 E-value 944.389
Click to view 3D structure	Cyclin-dependent kinase 1	P06493	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.357 Statistical Significance 0.1923 Supporting Reference Compounds 715 E-value 1496.88
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.357 Statistical Significance 0.3212 Supporting Reference Compounds 1660 E-value 2500.36
Click to view 3D structure	Ribosomal protein S6 kinase alpha-3	P51812	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.357 Statistical Significance 0.232 Supporting Reference Compounds 733 E-value 1806.1
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.357 Statistical Significance 0.3238 Supporting Reference Compounds 1301 E-value 2520.99
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.357 Statistical Significance 0.2912 Supporting Reference Compounds 967 E-value 2267.28
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.357 Statistical Significance 0.3355 Supporting Reference Compounds 1157 E-value 2611.92
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.357 Statistical Significance 0.3012 Supporting Reference Compounds 1010 E-value 2344.51
Click to view 3D structure	Vascular endothelial growth factor receptor 3	P35916	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.357 Statistical Significance 0.2393 Supporting Reference Compounds 687 E-value 1862.62
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.357 Statistical Significance 0.2612 Supporting Reference Compounds 742 E-value 2033.42
Click to view 3D structure	ALK tyrosine kinase receptor	Q9UM73	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.357 Statistical Significance 0.2629 Supporting Reference Compounds 708 E-value 2046.66
Click to view 3D structure	Insulin-like growth factor 1 receptor	P08069	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.357 Statistical Significance 0.2803 Supporting Reference Compounds 785 E-value 2181.88
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.357 Statistical Significance 0.3273 Supporting Reference Compounds 1158 E-value 2548.08
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.357 Statistical Significance 0.3021 Supporting Reference Compounds 905 E-value 2352.06
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.357 Statistical Significance 0.3592 Supporting Reference Compounds 1274 E-value 2796.58
Click to view 3D structure	Macrophage colony-stimulating factor 1 receptor	P07333	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.357 Statistical Significance 0.3142 Supporting Reference Compounds 833 E-value 2446.1
Click to view 3D structure	Death-associated protein kinase 3	O43293	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.357 Statistical Significance 0.2609 Supporting Reference Compounds 599 E-value 2031.24
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.357 Statistical Significance 0.3547 Supporting Reference Compounds 1029 E-value 2761.31
Click to view 3D structure	3-phosphoinositide-dependent protein kinase 1	O15530	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.357 Statistical Significance 0.2655 Supporting Reference Compounds 591 E-value 2066.9
Click to view 3D structure	Glycogen synthase kinase-3 alpha	P49840	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.357 Statistical Significance 0.3357 Supporting Reference Compounds 754 E-value 2613.24
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.357 Statistical Significance 0.3257 Supporting Reference Compounds 714 E-value 2535.94
Click to view 3D structure	Dual specificity protein kinase CLK2	P49760	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.357 Statistical Significance 0.3203 Supporting Reference Compounds 727 E-value 2493.82
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.357 Statistical Significance 0.3418 Supporting Reference Compounds 811 E-value 2660.65