4-amino-1-cyclopropylpyrrolidin-2-one

• ChemBase ID: 116495
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: N1(C(=O)CC(C1)N)C1CC1
• Canonical SMILES: NC1CC(=O)N(C1)C1CC1
• InChI: InChI=1S/C7H12N2O/c8-5-3-7(10)9(4-5)6-1-2-6/h5-6H,1-4,8H2
• InChIKey: PSINJBJNAVYKLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-1-cyclopropylpyrrolidin-2-one
• IUPAC Traditional name: 4-amino-1-cyclopropylpyrrolidin-2-one
• Synonyms: 4-Amino-1-cyclopropyl-2-pyrrolidinone hydrochloride

Database IDs

• MDL Number: MFCD16661085
• PubChem SID: 162102356
• PubChem CID: 43521152

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.869205
• LogD (pH = 7.4): -2.7223158
• Log P: -0.91624665
• Molar Refractivity: 37.2308 cm^3
• Polarizability: 14.909609 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.792

Product Information

• Purity: 95+%
• Salt Data: HCl