4-(hydroxyimino)piperidine-1-carboxamide

• ChemBase ID: 252522
• Molecular Formular: C6H11N3O2
• Molecular Mass: 157.17044
• Monoisotopic Mass: 157.08512661
• SMILES: C(=O)(N1CCC(=NO)CC1)N
• Canonical SMILES: ON=C1CCN(CC1)C(=O)N
• InChI: InChI=1S/C6H11N3O2/c7-6(10)9-3-1-5(8-11)2-4-9/h11H,1-4H2,(H2,7,10)
• InChIKey: OVVHXQHDXBWHKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(hydroxyimino)piperidine-1-carboxamide
• IUPAC Traditional name: 4-(hydroxyimino)piperidine-1-carboxamide
• Synonyms: 4-(hydroxyimino)piperidine-1-carboxamide

Database IDs

• MDL Number: MFCD08444373
• PubChem SID: 164308432
• PubChem CID: 16227264

CALCULATED PROPERTIES

• Acid pKa: 10.901383
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.9240446
• LogD (pH = 7.4): -0.92417496
• Log P: -0.9240386
• Molar Refractivity: 39.2331 cm^3
• Polarizability: 14.908459 Å^3
• Polar Surface Area: 78.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.451

Product Information

• Purity: 95%