3-ethenylphenyl N-ethyl-N-methylcarbamate

• ChemBase ID: 168698
• Molecular Formular: C12H15NO2
• Molecular Mass: 205.253
• Monoisotopic Mass: 205.11027873
• SMILES: c1cc(cc(c1)C=C)OC(=O)N(CC)C
• Canonical SMILES: CCN(C(=O)Oc1cccc(c1)C=C)C
• InChI: InChI=1S/C12H15NO2/c1-4-10-7-6-8-11(9-10)15-12(14)13(3)5-2/h4,6-9H,1,5H2,2-3H3
• InChIKey: NARZULAZYYDYNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethenylphenyl N-ethyl-N-methylcarbamate
• IUPAC Traditional name: 3-ethenylphenyl N-ethyl-N-methylcarbamate
• Synonyms: N-Ethyl-N-methyl-3-ethenylphenyl Carbamate; N-Ethyl-N-methyl-3-vinylphenyl Carbamate

Database IDs

• PubChem SID: 162262830
• PubChem CID: 71307771

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7878234
• LogD (pH = 7.4): 2.7878234
• Log P: 2.7878234
• Molar Refractivity: 60.0954 cm^3
• Polarizability: 23.085516 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - E925205

A related compound of Rivastigmine (R541000), a cholinesterase inhibitor.