3-(cyclopropylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione

• ChemBase ID: 311908
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: N1(C(=O)CC(C1=O)NC1CC1)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)N1C(=O)CC(C1=O)NC1CC1
• InChI: InChI=1S/C14H16N2O2/c1-9-2-6-11(7-3-9)16-13(17)8-12(14(16)18)15-10-4-5-10/h2-3,6-7,10,12,15H,4-5,8H2,1H3
• InChIKey: PTNVQUCRQHQMJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopropylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
• IUPAC Traditional name: 3-(cyclopropylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
• Synonyms: 3-(cyclopropylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione

Database IDs

• CAS Number: 1008220-64-1
• MDL Number: MFCD02041718

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.87231934
• LogD (pH = 7.4): 0.8533242
• Log P: 1.477689
• Molar Refractivity: 66.9784 cm^3
• Polarizability: 26.316452 Å^3
• Polar Surface Area: 49.41 Å^2