2,3-dihydro-1H-indole-6-carbonitrile

• ChemBase ID: 243677
• Molecular Formular: C9H8N2
• Molecular Mass: 144.17322
• Monoisotopic Mass: 144.06874827
• SMILES: N#Cc1cc2NCCc2cc1
• Canonical SMILES: N#Cc1ccc2c(c1)NCC2
• InChI: InChI=1S/C9H8N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-2,5,11H,3-4H2
• InChIKey: DKDQINLFUWFZCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-indole-6-carbonitrile
• IUPAC Traditional name: 2,3-dihydro-1H-indole-6-carbonitrile
• Synonyms: 2,3-dihydro-1H-indole-6-carbonitrile

Database IDs

• MDL Number: MFCD08544327
• PubChem SID: 164299587
• PubChem CID: 16244447

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3383212
• LogD (pH = 7.4): 1.341962
• Log P: 1.3420086
• Molar Refractivity: 45.283 cm^3
• Polarizability: 16.174511 Å^3
• Polar Surface Area: 35.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.911

Product Information

• Purity: 95%