1-(4-methoxyphenyl)cyclopropane-1-carboxamide

• ChemBase ID: 801302
• Molecular Formular: C11H13NO2
• Molecular Mass: 191.22642
• Monoisotopic Mass: 191.09462866
• SMILES: C1(CC1)(C(=O)N)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C1(CC1)C(=O)N
• InChI: InChI=1S/C11H13NO2/c1-14-9-4-2-8(3-5-9)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H2,12,13)
• InChIKey: NYOXZRQYVYNHLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-(4-methoxyphenyl)cyclopropane-1-carboxamide
• Synonyms: 1-(4-METHOXYPHENYL)CYCLOPROPANECARBOXAMIDE

CALCULATED PROPERTIES

• Acid pKa: 15.935172
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.281655
• LogD (pH = 7.4): 1.281655
• Log P: 1.281655
• Molar Refractivity: 52.9243 cm^3
• Polarizability: 20.687216 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%