2-methyl-N-phenylprop-2-enamide

• ChemBase ID: 43009
• Molecular Formular: C10H11NO
• Molecular Mass: 161.20044
• Monoisotopic Mass: 161.08406398
• SMILES: C(=O)(Nc1ccccc1)C(=C)C
• Canonical SMILES: O=C(C(=C)C)Nc1ccccc1
• InChI: InChI=1S/C10H11NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12)
• InChIKey: IJSVVICYGLOZHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-phenylprop-2-enamide
• IUPAC Traditional name: 2-methyl-N-phenylprop-2-enamide
• Synonyms: 2-Methyl-N-phenylacrylamide

Database IDs

• CAS Number: 1611-83-2
• MDL Number: MFCD00048114
• PubChem SID: 162047772
• PubChem CID: 74164

CALCULATED PROPERTIES

• Acid pKa: 14.468607
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3627996
• LogD (pH = 7.4): 2.3627996
• Log P: 2.3627996
• Molar Refractivity: 49.9258 cm^3
• Polarizability: 18.657421 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%