2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetamide

• ChemBase ID: 113954
• Molecular Formular: C10H8N2O3
• Molecular Mass: 204.18212
• Monoisotopic Mass: 204.05349213
• SMILES: N1(C(=O)C(=O)c2c1cccc2)CC(=O)N
• Canonical SMILES: NC(=O)CN1c2ccccc2C(=O)C1=O
• InChI: InChI=1S/C10H8N2O3/c11-8(13)5-12-7-4-2-1-3-6(7)9(14)10(12)15/h1-4H,5H2,(H2,11,13)
• InChIKey: PFDMWGKCXRICRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetamide
• IUPAC Traditional name: 2-(2,3-dioxoindol-1-yl)acetamide
• Synonyms: 2-(2,3-dioxoindolin-1-yl)acetamide; 2-(2,3-Dioxo-2,3-dihydro-indol-1-yl)-acetamide

Database IDs

• CAS Number: 85124-17-0
• MDL Number: MFCD00450372
• PubChem SID: 162098792
• PubChem CID: 1906162

CALCULATED PROPERTIES

• Acid pKa: 15.0117035
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.51334965
• LogD (pH = 7.4): -0.51334965
• Log P: -0.51334965
• Molar Refractivity: 51.4977 cm^3
• Polarizability: 19.484222 Å^3
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.731

Product Information

• Purity: 95+%