N-(1H-indol-5-yl)acetamide

• ChemBase ID: 293642
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: CC(=O)Nc1ccc2[nH]ccc2c1
• Canonical SMILES: CC(=O)Nc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C10H10N2O/c1-7(13)12-9-2-3-10-8(6-9)4-5-11-10/h2-6,11H,1H3,(H,12,13)
• InChIKey: LEXRMCPBIULJNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indol-5-yl)acetamide
• IUPAC Traditional name: N-(1H-indol-5-yl)acetamide
• Synonyms: N-(1H-Indol-5-yl)acetamide

Database IDs

• CAS Number: 7145-71-3
• MDL Number: MFCD01320495
• PubChem SID: 180679173
• PubChem CID: 252772

CALCULATED PROPERTIES

• Acid pKa: 14.121131
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.3097181
• LogD (pH = 7.4): 1.3097181
• Log P: 1.3097181
• Molar Refractivity: 52.0075 cm^3
• Polarizability: 20.42969 Å^3
• Polar Surface Area: 44.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%