(2E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide

• ChemBase ID: 808996
• Molecular Formular: C10H17NO3
• Molecular Mass: 199.24688
• Monoisotopic Mass: 199.12084341
• SMILES: C(=C\C(=O)N(C)OC)/C1CCOCC1
• Canonical SMILES: CON(C(=O)/C=C/C1CCOCC1)C
• InChI: InChI=1S/C10H17NO3/c1-11(13-2)10(12)4-3-9-5-7-14-8-6-9/h3-4,9H,5-8H2,1-2H3/b4-3+
• InChIKey: ZIPOPTFLBYIKJF-ONEGZZNKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide
• IUPAC Traditional name: (2E)-N-methoxy-N-methyl-3-(oxan-4-yl)prop-2-enamide
• Synonyms: (2E)-N-METHOXY-N-METHYL-3-(TETRAHYDRO-2H-PYRAN-4-YL)ACRYLAMIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6201662
• LogD (pH = 7.4): 0.6201662
• Log P: 0.6201662
• Molar Refractivity: 54.6296 cm^3
• Polarizability: 20.796312 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%