N-(1-cyclopropanecarbonylpiperidin-4-ylidene)hydroxylamine

• ChemBase ID: 255052
• Molecular Formular: C9H14N2O2
• Molecular Mass: 182.21966
• Monoisotopic Mass: 182.1055277
• SMILES: C(=O)(N1CCC(=NO)CC1)C1CC1
• Canonical SMILES: ON=C1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C9H14N2O2/c12-9(7-1-2-7)11-5-3-8(10-13)4-6-11/h7,13H,1-6H2
• InChIKey: FHTQWYSSHZOCDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cyclopropanecarbonylpiperidin-4-ylidene)hydroxylamine
• IUPAC Traditional name: N-(1-cyclopropanecarbonylpiperidin-4-ylidene)hydroxylamine
• Synonyms: 1-(cyclopropylcarbonyl)piperidin-4-one oxime

Database IDs

• MDL Number: MFCD09931489
• PubChem SID: 164310962
• PubChem CID: 24693093

CALCULATED PROPERTIES

• Acid pKa: 10.973679
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.18929414
• LogD (pH = 7.4): 0.18918765
• Log P: 0.18930314
• Molar Refractivity: 47.9556 cm^3
• Polarizability: 18.514482 Å^3
• Polar Surface Area: 52.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.291

Product Information

• Purity: 95%