2-(pyrrolidin-2-yl)acetamide hydrochloride

• ChemBase ID: 246167
• Molecular Formular: C6H13ClN2O
• Molecular Mass: 164.63322
• Monoisotopic Mass: 164.07164073
• SMILES: C(=O)(CC1NCCC1)N.Cl
• Canonical SMILES: NC(=O)CC1CCCN1.Cl
• InChI: InChI=1S/C6H12N2O.ClH/c7-6(9)4-5-2-1-3-8-5;/h5,8H,1-4H2,(H2,7,9);1H
• InChIKey: MSHUUCQYNRTNIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-2-yl)acetamide hydrochloride
• IUPAC Traditional name: 2-(pyrrolidin-2-yl)acetamide hydrochloride
• Synonyms: 2-(pyrrolidin-2-yl)acetamide hydrochloride

Database IDs

• PubChem SID: 164302077
• PubChem CID: 69539362

CALCULATED PROPERTIES

• Acid pKa: 16.691605
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.0555916
• LogD (pH = 7.4): -3.7501597
• Log P: -0.8192605
• Molar Refractivity: 34.5108 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): -0.577

Product Information

• Purity: 95%