2,3-dihydro-1H-indole-3-carboxamide

• ChemBase ID: 270602
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: C1(c2c(NC1)cccc2)C(=O)N
• Canonical SMILES: NC(=O)C1CNc2c1cccc2
• InChI: InChI=1S/C9H10N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-4,7,11H,5H2,(H2,10,12)
• InChIKey: OKFWHWKMNFIVRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-indole-3-carboxamide
• IUPAC Traditional name: 2,3-dihydro-1H-indole-3-carboxamide
• Synonyms: 2,3-dihydro-1H-indole-3-carboxamide

Database IDs

• MDL Number: MFCD18838655
• PubChem SID: 164326512
• PubChem CID: 22936105

CALCULATED PROPERTIES

• Acid pKa: 16.323761
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.050811797
• LogD (pH = 7.4): 0.057535406
• Log P: 0.05762181
• Molar Refractivity: 47.4695 cm^3
• Polarizability: 17.46808 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152°C
• Hydrophobicity(logP): 0.034

Product Information

• Purity: 95%