N-ethylprop-2-enamide

• ChemBase ID: 112519
• Molecular Formular: C5H9NO
• Molecular Mass: 99.13106
• Monoisotopic Mass: 99.06841391
• SMILES: CCNC(=O)C=C
• Canonical SMILES: CCNC(=O)C=C
• InChI: InChI=1S/C5H9NO/c1-3-5(7)6-4-2/h3H,1,4H2,2H3,(H,6,7)
• InChIKey: SWPMNMYLORDLJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylprop-2-enamide
• IUPAC Traditional name: N-ethylprop-2-enamide
• Synonyms: N-ETHYL ACRYLAMIDE

Database IDs

• PubChem SID: 162106751
• PubChem CID: 9793705

CALCULATED PROPERTIES

• Acid pKa: 16.388266
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.30646464
• LogD (pH = 7.4): 0.3064884
• Log P: 0.3064887
• Molar Refractivity: 28.7589 cm^3
• Polarizability: 10.906219 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224502

MP Biomedicals Rare Chemical collection