N-propylpyrrolidine-2-carboxamide hydrochloride

• ChemBase ID: 49290
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(C1NCCC1)NCCC.Cl
• Canonical SMILES: CCCNC(=O)C1CCCN1.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c1-2-5-10-8(11)7-4-3-6-9-7;/h7,9H,2-6H2,1H3,(H,10,11);1H
• InChIKey: GRSWZDLSMQNNDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propylpyrrolidine-2-carboxamide hydrochloride
• IUPAC Traditional name: N-propylpyrrolidine-2-carboxamide hydrochloride
• Synonyms: N-Propyl-2-pyrrolidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562366
• PubChem SID: 162054053
• PubChem CID: 17814027

CALCULATED PROPERTIES

• Acid pKa: 15.973993
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.007249
• LogD (pH = 7.4): -2.15051
• Log P: 0.1989224
• Molar Refractivity: 44.0558 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false