N-methoxy-N-methylprop-2-enamide

• ChemBase ID: 278161
• Molecular Formular: C5H9NO2
• Molecular Mass: 115.13046
• Monoisotopic Mass: 115.06332853
• SMILES: C(=O)(N(OC)C)C=C
• Canonical SMILES: CN(C(=O)C=C)OC
• InChI: InChI=1S/C5H9NO2/c1-4-5(7)6(2)8-3/h4H,1H2,2-3H3
• InChIKey: IAAVEAHABZTBNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methylprop-2-enamide
• IUPAC Traditional name: N-methoxy-N-methylprop-2-enamide
• Synonyms: N-methoxy-N-methylprop-2-enamide

Database IDs

• MDL Number: MFCD12095636
• PubChem SID: 164334071
• PubChem CID: 294174

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.32445973
• LogD (pH = 7.4): 0.32445973
• Log P: 0.32445973
• Molar Refractivity: 30.2572 cm^3
• Polarizability: 11.62605 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.659

Product Information

• Purity: 95%