4-amino-1-(3-chlorophenyl)pyrrolidin-2-one

• ChemBase ID: 307956
• Molecular Formular: C10H11ClN2O
• Molecular Mass: 210.66014
• Monoisotopic Mass: 210.05599066
• SMILES: N1(C(=O)CC(C1)N)c1cc(Cl)ccc1
• Canonical SMILES: NC1CC(=O)N(C1)c1cccc(c1)Cl
• InChI: InChI=1S/C10H11ClN2O/c11-7-2-1-3-9(4-7)13-6-8(12)5-10(13)14/h1-4,8H,5-6,12H2
• InChIKey: USPVRBVWGQTTLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-1-(3-chlorophenyl)pyrrolidin-2-one
• IUPAC Traditional name: 4-amino-1-(3-chlorophenyl)pyrrolidin-2-one
• Synonyms: 4-amino-1-(3-chlorophenyl)-2-pyrrolidinone

Database IDs

• CAS Number: 1114823-57-2
• MDL Number: MFCD12190544

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0407972
• LogD (pH = 7.4): -0.7743776
• Log P: 0.8801919
• Molar Refractivity: 54.602 cm^3
• Polarizability: 21.564356 Å^3
• Polar Surface Area: 46.33 Å^2