N,N-dimethyl-2,3-dihydro-1H-indole-5-carboxamide

• ChemBase ID: 269438
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: C(=O)(c1cc2c(NCC2)cc1)N(C)C
• Canonical SMILES: CN(C(=O)c1ccc2c(c1)CCN2)C
• InChI: InChI=1S/C11H14N2O/c1-13(2)11(14)9-3-4-10-8(7-9)5-6-12-10/h3-4,7,12H,5-6H2,1-2H3
• InChIKey: DCETYGPURKPSMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2,3-dihydro-1H-indole-5-carboxamide
• IUPAC Traditional name: N,N-dimethyl-2,3-dihydro-1H-indole-5-carboxamide
• Synonyms: N,N-dimethyl-2,3-dihydro-1H-indole-5-carboxamide

Database IDs

• MDL Number: MFCD11181066
• PubChem SID: 164325348
• PubChem CID: 43142510

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7789401
• LogD (pH = 7.4): 0.783842
• Log P: 0.78390485
• Molar Refractivity: 58.4332 cm^3
• Polarizability: 20.855024 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156 - 158°C
• Hydrophobicity(logP): 0.792

Product Information

• Purity: 95%