N,N-diethylpyrrolidine-2-carboxamide

• ChemBase ID: 265133
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: C(=O)(N(CC)CC)C1NCCC1
• Canonical SMILES: CCN(C(=O)C1CCCN1)CC
• InChI: InChI=1S/C9H18N2O/c1-3-11(4-2)9(12)8-6-5-7-10-8/h8,10H,3-7H2,1-2H3
• InChIKey: LVUPFABYBLEEMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethylpyrrolidine-2-carboxamide
• IUPAC Traditional name: N,N-diethylpyrrolidine-2-carboxamide
• Synonyms: N,N-diethylpyrrolidine-2-carboxamide

Database IDs

• MDL Number: MFCD06357924
• PubChem SID: 164321043
• PubChem CID: 5036780

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9500895
• LogD (pH = 7.4): -2.1014214
• Log P: 0.256884
• Molar Refractivity: 49.1771 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.896

Product Information

• Purity: 95%