N-cyclopropylpyrrolidine-2-carboxamide hydrochloride

• ChemBase ID: 254957
• Molecular Formular: C8H15ClN2O
• Molecular Mass: 190.6705
• Monoisotopic Mass: 190.08729079
• SMILES: C(=O)(NC1CC1)C1NCCC1.Cl
• Canonical SMILES: O=C(C1CCCN1)NC1CC1.Cl
• InChI: InChI=1S/C8H14N2O.ClH/c11-8(10-6-3-4-6)7-2-1-5-9-7;/h6-7,9H,1-5H2,(H,10,11);1H
• InChIKey: RUXPOAOYMHCHCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropylpyrrolidine-2-carboxamide hydrochloride
• IUPAC Traditional name: N-cyclopropylpyrrolidine-2-carboxamide hydrochloride
• Synonyms: N-cyclopropylpyrrolidine-2-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD09863851
• PubChem SID: 164310867
• PubChem CID: 43810520

CALCULATED PROPERTIES

• Acid pKa: 15.628963
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4209795
• LogD (pH = 7.4): -2.5638866
• Log P: -0.21484342
• Molar Refractivity: 41.9944 cm^3
• Polarizability: 16.74643 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): -0.237

Product Information

• Purity: 95%