(Z)-N'-hydroxy-2-(2-oxo-2,3-dihydro-1H-indol-3-yl)ethenimidamide

• ChemBase ID: 266265
• Molecular Formular: C10H11N3O2
• Molecular Mass: 205.21324
• Monoisotopic Mass: 205.08512661
• SMILES: C1(=O)Nc2c(C1C/C(=N/O)/N)cccc2
• Canonical SMILES: O/N=C(/CC1C(=O)Nc2c1cccc2)\N
• InChI: InChI=1S/C10H11N3O2/c11-9(13-15)5-7-6-3-1-2-4-8(6)12-10(7)14/h1-4,7,15H,5H2,(H2,11,13)(H,12,14)
• InChIKey: FLEMYJFXWAUBBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-2-(2-oxo-2,3-dihydro-1H-indol-3-yl)ethenimidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-2-(2-oxo-1,3-dihydroindol-3-yl)ethenimidamide
• Synonyms: N'-hydroxy-2-(2-oxo-2,3-dihydro-1H-indol-3-yl)ethanimidamide

Database IDs

• MDL Number: MFCD09046640
• PubChem SID: 164322175
• PubChem CID: 16774263

CALCULATED PROPERTIES

• Acid pKa: 11.340653
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.35121745
• LogD (pH = 7.4): -0.007868844
• Log P: -9.327957E-4
• Molar Refractivity: 56.1918 cm^3
• Polarizability: 20.740265 Å^3
• Polar Surface Area: 87.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 0.242

Product Information

• Purity: 95%