N-methyl-1H-indole-2-carboxamide

• ChemBase ID: 279122
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c1([nH]c2c(c1)cccc2)C(=O)NC
• Canonical SMILES: CNC(=O)c1cc2c([nH]1)cccc2
• InChI: InChI=1S/C10H10N2O/c1-11-10(13)9-6-7-4-2-3-5-8(7)12-9/h2-6,12H,1H3,(H,11,13)
• InChIKey: GRIOMWQLXUWOJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1H-indole-2-carboxamide
• IUPAC Traditional name: N-methyl-1H-indole-2-carboxamide
• Synonyms: N-methyl-1H-indole-2-carboxamide

Database IDs

• MDL Number: MFCD03015880
• PubChem SID: 164335032
• PubChem CID: 12461785

CALCULATED PROPERTIES

• Acid pKa: 12.376724
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.0663252
• LogD (pH = 7.4): 1.0663213
• Log P: 1.0663253
• Molar Refractivity: 50.9971 cm^3
• Polarizability: 20.22613 Å^3
• Polar Surface Area: 44.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 221 - 223°C
• Hydrophobicity(logP): 1.447

Product Information

• Purity: 95%