2-bromo-N-(prop-2-en-1-yl)acetamide

• ChemBase ID: 307808
• Molecular Formular: C5H8BrNO
• Molecular Mass: 178.02712
• Monoisotopic Mass: 176.97892588
• SMILES: C(=O)(NCC=C)CBr
• Canonical SMILES: BrCC(=O)NCC=C
• InChI: InChI=1S/C5H8BrNO/c1-2-3-7-5(8)4-6/h2H,1,3-4H2,(H,7,8)
• InChIKey: DIURKPUKYORPET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(prop-2-en-1-yl)acetamide
• IUPAC Traditional name: 2-bromo-N-(prop-2-en-1-yl)acetamide
• Synonyms: N-allyl-2-bromoacetamide

Database IDs

• CAS Number: 126265-30-3
• MDL Number: MFCD06799645

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.6474766
• LogD (pH = 7.4): 0.64747566
• Log P: 0.6474766
• Molar Refractivity: 36.262 cm^3
• Polarizability: 13.763094 Å^3
• Polar Surface Area: 29.1 Å^2