N-hydroxycyclopentanecarboxamide

• ChemBase ID: 272510
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: C(=O)(NO)C1CCCC1
• Canonical SMILES: ONC(=O)C1CCCC1
• InChI: InChI=1S/C6H11NO2/c8-6(7-9)5-3-1-2-4-5/h5,9H,1-4H2,(H,7,8)
• InChIKey: UJWWRLYXVMPKEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxycyclopentanecarboxamide
• IUPAC Traditional name: N-hydroxycyclopentanecarboxamide
• Synonyms: N-hydroxycyclopentanecarboxamide

Database IDs

• MDL Number: MFCD09933523
• PubChem SID: 164328420
• PubChem CID: 15701559

CALCULATED PROPERTIES

• Acid pKa: 8.872652
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.63528025
• LogD (pH = 7.4): 0.62114674
• Log P: 0.6354635
• Molar Refractivity: 32.8317 cm^3
• Polarizability: 12.922368 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 107 - 109°C
• Hydrophobicity(logP): -0.122

Product Information

• Purity: 95%