N-{4-[(1E)-1-(hydroxyimino)ethyl]phenyl}cyclopropanecarboxamide

• ChemBase ID: 254875
• Molecular Formular: C12H14N2O2
• Molecular Mass: 218.25176
• Monoisotopic Mass: 218.1055277
• SMILES: C(=O)(C1CC1)Nc1ccc(/C(=N/O)/C)cc1
• Canonical SMILES: O/N=C(/c1ccc(cc1)NC(=O)C1CC1)\C
• InChI: InChI=1S/C12H14N2O2/c1-8(14-16)9-4-6-11(7-5-9)13-12(15)10-2-3-10/h4-7,10,16H,2-3H2,1H3,(H,13,15)/b14-8+
• InChIKey: DCPRNHHMNTWKPK-RIYZIHGNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[(1E)-1-(hydroxyimino)ethyl]phenyl}cyclopropanecarboxamide
• IUPAC Traditional name: N-{4-[(1E)-1-(hydroxyimino)ethyl]phenyl}cyclopropanecarboxamide
• Synonyms: N-{4-[N-hydroxyethanimidoyl]phenyl}cyclopropanecarboxamide

Database IDs

• MDL Number: MFCD09863410
• PubChem SID: 164310785
• PubChem CID: 42945030

CALCULATED PROPERTIES

• Acid pKa: 8.5570345
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5570505
• LogD (pH = 7.4): 1.5287565
• Log P: 1.5578797
• Molar Refractivity: 62.5447 cm^3
• Polarizability: 23.252754 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.72

Product Information

• Purity: 95%