2-hydroxy-2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetamide

• ChemBase ID: 254176
• Molecular Formular: C10H8N2O3
• Molecular Mass: 204.18212
• Monoisotopic Mass: 204.05349213
• SMILES: C\1(=C(\C(=O)N)/O)/C(=O)Nc2c1cccc2
• Canonical SMILES: NC(=O)/C(=C\1/C(=O)Nc2c1cccc2)/O
• InChI: InChI=1S/C10H8N2O3/c11-9(14)8(13)7-5-3-1-2-4-6(5)12-10(7)15/h1-4,13H,(H2,11,14)(H,12,15)/b8-7-
• InChIKey: YHOVAZXAWIYXND-FPLPWBNLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetamide
• IUPAC Traditional name: 2-hydroxy-2-[(3Z)-2-oxo-1H-indol-3-ylidene]acetamide
• Synonyms: 2-hydroxy-2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetamide

Database IDs

• MDL Number: MFCD10579426
• PubChem SID: 164310086
• PubChem CID: 54727390

CALCULATED PROPERTIES

• Acid pKa: 3.9330924
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.8113984
• LogD (pH = 7.4): -3.433725
• Log P: -0.23737074
• Molar Refractivity: 55.068 cm^3
• Polarizability: 19.858515 Å^3
• Polar Surface Area: 92.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.169

Product Information

• Purity: 95%