4-amino-1-cyclopentylpyrrolidin-2-one

• ChemBase ID: 116496
• Molecular Formular: C9H16N2O
• Molecular Mass: 168.23614
• Monoisotopic Mass: 168.12626314
• SMILES: N1(C(=O)CC(C1)N)C1CCCC1
• Canonical SMILES: NC1CC(=O)N(C1)C1CCCC1
• InChI: InChI=1S/C9H16N2O/c10-7-5-9(12)11(6-7)8-3-1-2-4-8/h7-8H,1-6,10H2
• InChIKey: NAXXXUBOAYFUGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-1-cyclopentylpyrrolidin-2-one
• IUPAC Traditional name: 4-amino-1-cyclopentylpyrrolidin-2-one
• Synonyms: 4-Amino-1-cyclopentyl-2-pyrrolidinone hydrochloride

Database IDs

• MDL Number: MFCD11560316
• PubChem SID: 162101212
• PubChem CID: 43521154

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9800677
• LogD (pH = 7.4): -1.8331785
• Log P: -0.02710931
• Molar Refractivity: 46.4328 cm^3
• Polarizability: 18.585028 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.092

Product Information

• Purity: 95+%
• Salt Data: HCl