(E)-2-cyclopentyl-N'-hydroxyethenimidamide

• ChemBase ID: 54739
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C(=N\O)(\CC1CCCC1)/N
• Canonical SMILES: O/N=C(\CC1CCCC1)/N
• InChI: InChI=1S/C7H14N2O/c8-7(9-10)5-6-3-1-2-4-6/h6,10H,1-5H2,(H2,8,9)
• InChIKey: ZYIKUQJPRWKWMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-2-cyclopentyl-N'-hydroxyethenimidamide
• IUPAC Traditional name: (E)-2-cyclopentyl-N'-hydroxyethenimidamide
• Synonyms: 2-Cyclopentyl-N'-hydroxyethanimidamide

Database IDs

• MDL Number: MFCD18909625
• PubChem SID: 162059502
• PubChem CID: 50938268

CALCULATED PROPERTIES

• Acid pKa: 12.281282
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.3590829
• LogD (pH = 7.4): 0.88067687
• Log P: 0.8938932
• Molar Refractivity: 39.586 cm^3
• Polarizability: 15.454851 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false