2-(3-acetyl-1H-indol-1-yl)acetamide

• ChemBase ID: 312040
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: n1(cc(c2c1cccc2)C(=O)C)CC(=O)N
• Canonical SMILES: NC(=O)Cn1cc(c2c1cccc2)C(=O)C
• InChI: InChI=1S/C12H12N2O2/c1-8(15)10-6-14(7-12(13)16)11-5-3-2-4-9(10)11/h2-6H,7H2,1H3,(H2,13,16)
• InChIKey: RPJVBEMJTHHQFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-acetyl-1H-indol-1-yl)acetamide
• IUPAC Traditional name: 2-(3-acetylindol-1-yl)acetamide
• Synonyms: 2-(3-acetyl-1H-indol-1-yl)acetamide

Database IDs

• CAS Number: 799264-84-9
• MDL Number: MFCD05128821

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5243721
• LogD (pH = 7.4): 0.5243721
• Log P: 0.5243721
• Molar Refractivity: 60.3508 cm^3
• Polarizability: 24.163486 Å^3
• Polar Surface Area: 65.09 Å^2