1-ethyl-N-methylpyrrolidine-2-carboxamide

• ChemBase ID: 75219
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: N1(CC)CCCC1C(=O)NC
• Canonical SMILES: CCN1CCCC1C(=O)NC
• InChI: InChI=1S/C8H16N2O/c1-3-10-6-4-5-7(10)8(11)9-2/h7H,3-6H2,1-2H3,(H,9,11)
• InChIKey: QNDRLFKYRMOWNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-methylpyrrolidine-2-carboxamide
• IUPAC Traditional name: 1-ethyl-N-methylpyrrolidine-2-carboxamide
• Synonyms: 1-Ethyl-N-methylpyrrolidine-2-carboxamide 97%

Database IDs

• CAS Number: 107599-38-2
• MDL Number: MFCD07776930
• PubChem SID: 162040137
• PubChem CID: 20700874

CALCULATED PROPERTIES

• Acid pKa: 16.091625
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8464062
• LogD (pH = 7.4): -1.1020362
• Log P: 0.059447937
• Molar Refractivity: 44.8265 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant