4-amino-1-(2-methylcyclopropyl)pyrrolidin-2-one hydrochloride

• ChemBase ID: 284394
• Molecular Formular: C8H15ClN2O
• Molecular Mass: 190.6705
• Monoisotopic Mass: 190.08729079
• SMILES: N1(C2CC2C)C(=O)CC(C1)N.Cl
• Canonical SMILES: NC1CC(=O)N(C1)C1CC1C.Cl
• InChI: InChI=1S/C8H14N2O.ClH/c1-5-2-7(5)10-4-6(9)3-8(10)11;/h5-7H,2-4,9H2,1H3;1H
• InChIKey: KWEMGFDWLFONJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-1-(2-methylcyclopropyl)pyrrolidin-2-one hydrochloride
• IUPAC Traditional name: 4-amino-1-(2-methylcyclopropyl)pyrrolidin-2-one hydrochloride
• Synonyms: 4-amino-1-(2-methylcyclopropyl)pyrrolidin-2-one hydrochloride

Database IDs

• MDL Number: MFCD20502139
• PubChem SID: 180669925
• PubChem CID: 54595965

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.5042312
• LogD (pH = 7.4): -2.3573372
• Log P: -0.5512738
• Molar Refractivity: 41.7024 cm^3
• Polarizability: 16.74643 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 0.653

Product Information

• Purity: 95%