(Z)-N-[1-(1H-indol-3-yl)ethylidene]hydroxylamine

• ChemBase ID: 59038
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c1(c[nH]c2c1cccc2)/C(=N\O)/C
• Canonical SMILES: O/N=C(\c1c[nH]c2c1cccc2)/C
• InChI: InChI=1S/C10H10N2O/c1-7(12-13)9-6-11-10-5-3-2-4-8(9)10/h2-6,11,13H,1H3/b12-7-
• InChIKey: ZUYHZNAHKFXLAO-GHXNOFRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-[1-(1H-indol-3-yl)ethylidene]hydroxylamine
• IUPAC Traditional name: (Z)-N-[1-(1H-indol-3-yl)ethylidene]hydroxylamine
• Synonyms: (1Z)-1-(1H-Indol-3-yl)ethanone oxime

Database IDs

• MDL Number: MFCD00509588
• PubChem SID: 162063801
• PubChem CID: 6100698

CALCULATED PROPERTIES

• Acid pKa: 11.146073
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6385646
• LogD (pH = 7.4): 1.6390499
• Log P: 1.6391351
• Molar Refractivity: 51.369 cm^3
• Polarizability: 20.65327 Å^3
• Polar Surface Area: 48.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false