N-ethylpyrrolidine-3-carboxamide

• ChemBase ID: 308490
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C(=O)(C1CNCC1)NCC
• Canonical SMILES: CCNC(=O)C1CNCC1
• InChI: InChI=1S/C7H14N2O/c1-2-9-7(10)6-3-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10)
• InChIKey: NCVNYUIISCOCSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylpyrrolidine-3-carboxamide
• IUPAC Traditional name: N-ethylpyrrolidine-3-carboxamide
• Synonyms: N-ethyl-3-pyrrolidinecarboxamide

Database IDs

• CAS Number: 1060817-56-2
• MDL Number: MFCD11053982

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8694181
• LogD (pH = 7.4): -3.5001652
• Log P: -0.63488764
• Molar Refractivity: 39.7878 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 41.13 Å^2