2-cyclopropyl-1H-indole

• ChemBase ID: 124972
• Molecular Formular: C11H11N
• Molecular Mass: 157.21174
• Monoisotopic Mass: 157.08914936
• SMILES: c1([nH]c2c(c1)cccc2)C1CC1
• Canonical SMILES: c1ccc2c(c1)[nH]c(c2)C1CC1
• InChI: InChI=1S/C11H11N/c1-2-4-10-9(3-1)7-11(12-10)8-5-6-8/h1-4,7-8,12H,5-6H2
• InChIKey: INCAQIRDTKGRNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-1H-indole
• IUPAC Traditional name: 2-cyclopropyl-1H-indole
• Synonyms: 2-cyclopropyl-1H-indole

Database IDs

• PubChem SID: 162219325
• PubChem CID: 11389527

CALCULATED PROPERTIES

• Acid pKa: 16.309309
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 2.6953385
• LogD (pH = 7.4): 2.6953385
• Log P: 2.6953385
• Molar Refractivity: 49.4876 cm^3
• Polarizability: 20.359913 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true