N-(3-hydroxyphenyl)cyclopropanecarboxamide

• ChemBase ID: 259091
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: C(=O)(C1CC1)Nc1cc(O)ccc1
• Canonical SMILES: O=C(C1CC1)Nc1cccc(c1)O
• InChI: InChI=1S/C10H11NO2/c12-9-3-1-2-8(6-9)11-10(13)7-4-5-7/h1-3,6-7,12H,4-5H2,(H,11,13)
• InChIKey: BZSAIZDIEYYOBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxyphenyl)cyclopropanecarboxamide
• IUPAC Traditional name: N-(3-hydroxyphenyl)cyclopropanecarboxamide
• Synonyms: N-(3-hydroxyphenyl)cyclopropanecarboxamide

Database IDs

• MDL Number: MFCD11107954
• PubChem SID: 164315001
• PubChem CID: 312510

CALCULATED PROPERTIES

• Acid pKa: 9.236598
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6871079
• LogD (pH = 7.4): 1.6809442
• Log P: 1.6871871
• Molar Refractivity: 50.3011 cm^3
• Polarizability: 18.769108 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 184 - 186°C
• Hydrophobicity(logP): 0.848

Product Information

• Purity: 95%