5-ethoxypyrrolidin-2-one

• ChemBase ID: 813435
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: N1C(=O)CCC1OCC
• Canonical SMILES: CCOC1CCC(=O)N1
• InChI: InChI=1S/C6H11NO2/c1-2-9-6-4-3-5(8)7-6/h6H,2-4H2,1H3,(H,7,8)
• InChIKey: ZXRWQRYMEYRQKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethoxypyrrolidin-2-one
• IUPAC Traditional name: 5-ethoxypyrrolidin-2-one
• Synonyms: 5-ETHOXY-2-PYRROLIDINONE

Database IDs

• CAS Number: 39662-63-0

CALCULATED PROPERTIES

• Acid pKa: 11.103216
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.17260121
• LogD (pH = 7.4): -0.17267644
• Log P: -0.17260025
• Molar Refractivity: 32.898 cm^3
• Polarizability: 12.991205 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%