benzyl N-ethenylcarbamate

• ChemBase ID: 180158
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: C(=O)(NC=C)OCc1ccccc1
• Canonical SMILES: C=CNC(=O)OCc1ccccc1
• InChI: InChI=1S/C10H11NO2/c1-2-11-10(12)13-8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)
• InChIKey: YGBQZFPEMRCQRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl N-ethenylcarbamate
• IUPAC Traditional name: benzyl N-ethenylcarbamate
• Synonyms: Benzyl N-vinylcarbamate

Database IDs

• CAS Number: 84713-20-2
• PubChem SID: 164236068
• PubChem CID: 10931982

CALCULATED PROPERTIES

• Acid pKa: 12.971491
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0418265
• LogD (pH = 7.4): 2.0418253
• Log P: 2.0418265
• Molar Refractivity: 49.291 cm^3
• Polarizability: 19.346336 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true