2-cyclopropyl-N-methoxy-N-methylacetamide

• ChemBase ID: 797705
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C(C(=O)N(C)OC)C1CC1
• Canonical SMILES: CON(C(=O)CC1CC1)C
• InChI: InChI=1S/C7H13NO2/c1-8(10-2)7(9)5-6-3-4-6/h6H,3-5H2,1-2H3
• InChIKey: YZOGROCAAWYRBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-N-methoxy-N-methylacetamide
• IUPAC Traditional name: 2-cyclopropyl-N-methoxy-N-methylacetamide
• Synonyms: 2-Cyclopropyl-N-methoxy-N-methyl-acetamide

Database IDs

• CAS Number: 227322-00-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5365644
• LogD (pH = 7.4): 0.5365644
• Log P: 0.5365644
• Molar Refractivity: 37.5838 cm^3
• Polarizability: 14.820513 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%