(4Z)-N-ethyl-4-(hydroxyimino)pentanamide

• ChemBase ID: 170663
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: C/C(=N/O)/CCC(=O)NCC
• Canonical SMILES: C/C(=N/O)/CCC(=O)NCC
• InChI: InChI=1S/C7H14N2O2/c1-3-8-7(10)5-4-6(2)9-11/h11H,3-5H2,1-2H3,(H,8,10)/b9-6-
• InChIKey: CZJMSGKYOURGGI-TWGQIWQCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4Z)-N-ethyl-4-(hydroxyimino)pentanamide
• IUPAC Traditional name: (4Z)-N-ethyl-4-(hydroxyimino)pentanamide
• Synonyms: N-Ethyl-4-(hydroxyimino)pentanamide; 4-Hydroxyimino-pentanoic Acid Ethylamide

Database IDs

• CAS Number: 887406-41-9
• PubChem SID: 164226573
• PubChem CID: 45039453

CALCULATED PROPERTIES

• Acid pKa: 11.002162
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.28661203
• LogD (pH = 7.4): -0.28595734
• Log P: -0.28583625
• Molar Refractivity: 42.3773 cm^3
• Polarizability: 16.282051 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Ethanol; Ethyl Acetate
• Apperance: White Crystalline Solid
• Melting Point: 94-96°C