3-ethylpyrrolidin-2-one

• ChemBase ID: 309024
• Molecular Formular: C6H11NO
• Molecular Mass: 113.15764
• Monoisotopic Mass: 113.08406398
• SMILES: C1(=O)NCCC1CC
• Canonical SMILES: CCC1CCNC1=O
• InChI: InChI=1S/C6H11NO/c1-2-5-3-4-7-6(5)8/h5H,2-4H2,1H3,(H,7,8)
• InChIKey: ZRBMHTFPJMSUDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethylpyrrolidin-2-one
• IUPAC Traditional name: 3-ethylpyrrolidin-2-one
• Synonyms: 3-ethyl-2-pyrrolidinone

Database IDs

• CAS Number: 930-92-7
• MDL Number: MFCD18917012

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.4079456
• LogD (pH = 7.4): 0.40794563
• Log P: 0.40794563
• Molar Refractivity: 31.4334 cm^3
• Polarizability: 12.265093 Å^3
• Polar Surface Area: 29.1 Å^2