1-[4-(dimethylamino)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 87368
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: N1(c2ccc(cc2)N(C)C)C(=O)C=CC1=O
• Canonical SMILES: CN(c1ccc(cc1)N1C(=O)C=CC1=O)C
• InChI: InChI=1S/C12H12N2O2/c1-13(2)9-3-5-10(6-4-9)14-11(15)7-8-12(14)16/h3-8H,1-2H3
• InChIKey: MHVRYJCBHSCENI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(dimethylamino)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-[4-(dimethylamino)phenyl]pyrrole-2,5-dione
• Synonyms: 1-[4-(Dimethylamino)phenyl]-1H-pyrrole-2,5-dione; N-[4-(Dimethylamino)phenyl]maleimide; 1-[4-(dimethylamino)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dione

Database IDs

• MDL Number: MFCD00748633
• PubChem SID: 162104507
• PubChem CID: 236793

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3416278
• LogD (pH = 7.4): 1.3536204
• Log P: 1.3537755
• Molar Refractivity: 62.4543 cm^3
• Polarizability: 22.812147 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152 - 154°C
• Hydrophobicity(logP): 1.314

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%