3-cyclopropanecarbonyl-1H-indole

• ChemBase ID: 312325
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: c1(c[nH]c2c1cccc2)C(=O)C1CC1
• Canonical SMILES: O=C(c1c[nH]c2c1cccc2)C1CC1
• InChI: InChI=1S/C12H11NO/c14-12(8-5-6-8)10-7-13-11-4-2-1-3-9(10)11/h1-4,7-8,13H,5-6H2
• InChIKey: ILBLOQDDOYEESV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropanecarbonyl-1H-indole
• IUPAC Traditional name: 3-cyclopropanecarbonyl-1H-indole
• Synonyms: cyclopropyl(1H-indol-3-yl)methanone

Database IDs

• CAS Number: 675834-79-4
• MDL Number: MFCD04343914

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4094515
• LogD (pH = 7.4): 2.409451
• Log P: 2.4094515
• Molar Refractivity: 54.9465 cm^3
• Polarizability: 22.271225 Å^3
• Polar Surface Area: 32.86 Å^2