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

• ChemBase ID: 260432
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: N1(C(=O)N)c2c(CC1)cccc2
• Canonical SMILES: NC(=O)N1CCc2c1cccc2
• InChI: InChI=1S/C9H10N2O/c10-9(12)11-6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H2,10,12)
• InChIKey: OFLWZAHKUJNRML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00460645
• PubChem SID: 164316342
• PubChem CID: 771524

CALCULATED PROPERTIES

• Acid pKa: 16.06253
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7813652
• LogD (pH = 7.4): 0.7813652
• Log P: 0.7813652
• Molar Refractivity: 46.0232 cm^3
• Polarizability: 17.45088 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160 - 162°C
• Hydrophobicity(logP): 0.556

Product Information

• Purity: 95%