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

• ChemBase ID: 290950
• Molecular Formular: C10H10ClNO
• Molecular Mass: 195.6455
• Monoisotopic Mass: 195.04509163
• SMILES: O=C1N(c2cccc(Cl)c2)CCC1
• Canonical SMILES: Clc1cccc(c1)N1CCCC1=O
• InChI: InChI=1S/C10H10ClNO/c11-8-3-1-4-9(7-8)12-6-2-5-10(12)13/h1,3-4,7H,2,5-6H2
• InChIKey: AFHUWZFARIICFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chlorophenyl)pyrrolidin-2-one
• IUPAC Traditional name: 1-(3-chlorophenyl)pyrrolidin-2-one
• Synonyms: 1-(3-Chlorophenyl)pyrrolidin-2-one

Database IDs

• CAS Number: 24051-35-2
• PubChem SID: 180676481
• PubChem CID: 12485468

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9060699
• LogD (pH = 7.4): 1.9060699
• Log P: 1.9060699
• Molar Refractivity: 51.737 cm^3
• Polarizability: 20.035189 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%