N-(2-hydroxyphenyl)cyclopropanecarboxamide

• ChemBase ID: 258932
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: C(=O)(Nc1c(O)cccc1)C1CC1
• Canonical SMILES: O=C(C1CC1)Nc1ccccc1O
• InChI: InChI=1S/C10H11NO2/c12-9-4-2-1-3-8(9)11-10(13)7-5-6-7/h1-4,7,12H,5-6H2,(H,11,13)
• InChIKey: NHSGHJTUULGBSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyphenyl)cyclopropanecarboxamide
• IUPAC Traditional name: N-(2-hydroxyphenyl)cyclopropanecarboxamide
• Synonyms: N-(2-hydroxyphenyl)cyclopropanecarboxamide

Database IDs

• MDL Number: MFCD09054437
• PubChem SID: 164314842
• PubChem CID: 28054632

CALCULATED PROPERTIES

• Acid pKa: 8.785401
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6869636
• LogD (pH = 7.4): 1.6697813
• Log P: 1.6871871
• Molar Refractivity: 50.3011 cm^3
• Polarizability: 18.770342 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 138°C
• Hydrophobicity(logP): 1.078

Product Information

• Purity: 95%