N-hydroxyundec-10-enamide

• ChemBase ID: 181767
• Molecular Formular: C11H21NO2
• Molecular Mass: 199.28994
• Monoisotopic Mass: 199.15722892
• SMILES: C(=O)(NO)CCCCCCCCC=C
• Canonical SMILES: C=CCCCCCCCCC(=O)NO
• InChI: InChI=1S/C11H21NO2/c1-2-3-4-5-6-7-8-9-10-11(13)12-14/h2,14H,1,3-10H2,(H,12,13)
• InChIKey: ZUEKXFUSXSASAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxyundec-10-enamide
• IUPAC Traditional name: N-hydroxyundec-10-enamide

Database IDs

• PubChem SID: 164237677
• PubChem CID: 177785

CALCULATED PROPERTIES

• Acid pKa: 8.907538
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9194582
• LogD (pH = 7.4): 2.9063985
• Log P: 2.9196272
• Molar Refractivity: 57.7095 cm^3
• Polarizability: 22.574802 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds