3-amino-1-cyclopropylpyrrolidin-2-one hydrochloride

• ChemBase ID: 243704
• Molecular Formular: C7H13ClN2O
• Molecular Mass: 176.64392
• Monoisotopic Mass: 176.07164073
• SMILES: N1(C(=O)C(CC1)N)C1CC1.Cl
• Canonical SMILES: O=C1C(N)CCN1C1CC1.Cl
• InChI: InChI=1S/C7H12N2O.ClH/c8-6-3-4-9(7(6)10)5-1-2-5;/h5-6H,1-4,8H2;1H
• InChIKey: YHCYUHXAJJDFSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-1-cyclopropylpyrrolidin-2-one hydrochloride
• IUPAC Traditional name: 3-amino-1-cyclopropylpyrrolidin-2-one hydrochloride
• Synonyms: 3-amino-1-cyclopropylpyrrolidin-2-one hydrochloride

Database IDs

• MDL Number: MFCD22578732
• PubChem SID: 164299614
• PubChem CID: 71757318

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.59882
• LogD (pH = 7.4): -1.9733711
• Log P: -0.94111043
• Molar Refractivity: 37.4719 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

• Hydrophobicity(logP): -0.706

Product Information

• Purity: 95%