N-cyclopentyl-2-methylpyrrolidine-2-carboxamide hydrochloride

• ChemBase ID: 62427
• Molecular Formular: C11H21ClN2O
• Molecular Mass: 232.75024
• Monoisotopic Mass: 232.13424098
• SMILES: C(=O)(C1(NCCC1)C)NC1CCCC1.Cl
• Canonical SMILES: O=C(C1(C)CCCN1)NC1CCCC1.Cl
• InChI: InChI=1S/C11H20N2O.ClH/c1-11(7-4-8-12-11)10(14)13-9-5-2-3-6-9;/h9,12H,2-8H2,1H3,(H,13,14);1H
• InChIKey: KYVXSTXQHBLEJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-methylpyrrolidine-2-carboxamide hydrochloride
• IUPAC Traditional name: N-cyclopentyl-2-methylpyrrolidine-2-carboxamide hydrochloride
• Synonyms: 2-Methyl-pyrrolidine-2-carboxylic acid cyclopentylamide hydrochloride

Database IDs

• MDL Number: MFCD21605981
• PubChem SID: 162028166
• PubChem CID: 71298725

CALCULATED PROPERTIES

• Acid pKa: 15.750764
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1066358
• LogD (pH = 7.4): -1.3330534
• Log P: 1.1070598
• Molar Refractivity: 55.9097 cm^3
• Polarizability: 22.265976 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false