4-cyclohexylpyrrolidin-2-one

• ChemBase ID: 310155
• Molecular Formular: C10H17NO
• Molecular Mass: 167.24808
• Monoisotopic Mass: 167.13101417
• SMILES: N1C(=O)CC(C1)C1CCCCC1
• Canonical SMILES: O=C1NCC(C1)C1CCCCC1
• InChI: InChI=1S/C10H17NO/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h8-9H,1-7H2,(H,11,12)
• InChIKey: PWSUQCRPENFXDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclohexylpyrrolidin-2-one
• IUPAC Traditional name: 4-cyclohexylpyrrolidin-2-one
• Synonyms: 4-cyclohexyl-2-pyrrolidinone

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3869313
• LogD (pH = 7.4): 1.3869314
• Log P: 1.3869314
• Molar Refractivity: 47.8799 cm^3
• Polarizability: 18.897352 Å^3
• Polar Surface Area: 29.1 Å^2