ethyl 2-(pyrrolidin-2-ylidene)acetate

• ChemBase ID: 796023
• Molecular Formular: C8H13NO2
• Molecular Mass: 155.19432
• Monoisotopic Mass: 155.09462866
• SMILES: C(=C1NCCC1)C(=O)OCC
• Canonical SMILES: CCOC(=O)C=C1CCCN1
• InChI: InChI=1S/C8H13NO2/c1-2-11-8(10)6-7-4-3-5-9-7/h6,9H,2-5H2,1H3
• InChIKey: LHJWLENSDKDMPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(pyrrolidin-2-ylidene)acetate
• IUPAC Traditional name: ethyl 2-(pyrrolidin-2-ylidene)acetate
• Synonyms: Acetic acid, 2-(2-pyrrolidinylidene)-, ethyl ester

Database IDs

• CAS Number: 25219-53-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5952985
• LogD (pH = 7.4): 0.5952985
• Log P: 0.5952985
• Molar Refractivity: 43.8304 cm^3
• Polarizability: 16.40704 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%