4-amino-1-cyclopropylpyrrolidin-2-one hydrochloride

• ChemBase ID: 286354
• Molecular Formular: C7H13ClN2O
• Molecular Mass: 176.64392
• Monoisotopic Mass: 176.07164073
• SMILES: N1(C(=O)CC(C1)N)C1CC1.Cl
• Canonical SMILES: NC1CC(=O)N(C1)C1CC1.Cl
• InChI: InChI=1S/C7H12N2O.ClH/c8-5-3-7(10)9(4-5)6-1-2-6;/h5-6H,1-4,8H2;1H
• InChIKey: OSHWDRHZNHGFKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16661085
• PubChem SID: 180671885
• PubChem CID: 71779057

CALCULATED PROPERTIES

• Polarizability: 14.909609 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• 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

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): -0.044

Product Information

• Purity: 95%