1-(2,4-dimethylphenyl)pyrrole-2,5-dione

C12H11NO2 — CID 699498

IUPAC1-(2,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C=CC2=O)c(C)c1
InChIInChI=1S/C12H11NO2/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12(13)15/h3-7H,1-2H3
InChIKeyLWFUFCYGHRBLDH-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.73
Rot. Bonds1

About 1-(2,4-dimethylphenyl)pyrrole-2,5-dione

1-(2,4-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 699498) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)pyrrole-2,5-dione
PubChem CID699498
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-(2,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C=CC2=O)c(C)c1
InChIInChI=1S/C12H11NO2/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12(13)15/h3-7H,1-2H3
InChIKeyLWFUFCYGHRBLDH-UHFFFAOYSA-N
XLogP1.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Crotamiton
CID 2883
N-Ethyl-o-crotonotoluidide
CID 688020
N-Acetyl-2,6-xylidine
CID 16616
N-(2,4-Dimethylphenyl)acetamide
CID 16303
1,1'-(Methylenedi-p-phenylene)bismaleimide
CID 83648
N-(2,4-Dimethylphenyl)-3-oxobutanamide
CID 222464
1-Methyl-2-quinolone
CID 11820
1H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis-
CID 80893
N-(4-Methylphenyl)maleimide
CID 15399
6-Methylquinolin-2(1H)-one
CID 12237458
N-2-Tolylmaleimide
CID 19989
4,8-Dimethyl-2-hydroxyquinoline
CID 220708

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,4-dimethylphenyl)pyrrole-2,5-dione (CID 699498) is 1-(2,4-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,4-dimethylphenyl)pyrrole-2,5-dione is Cc1ccc(N2C(=O)C=CC2=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is LWFUFCYGHRBLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12(13)15/h3-7H,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)pyrrole-2,5-dione?
1-(2,4-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 201.22 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 699498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).