1',2'-dihydrospiro[cyclopentane-1,3'-indole]-2'-one

• ChemBase ID: 275871
• Molecular Formular: C12H13NO
• Molecular Mass: 187.23772
• Monoisotopic Mass: 187.09971404
• SMILES: C1(=O)Nc2c(C31CCCC3)cccc2
• Canonical SMILES: O=C1Nc2c(C31CCCC3)cccc2
• InChI: InChI=1S/C12H13NO/c14-11-12(7-3-4-8-12)9-5-1-2-6-10(9)13-11/h1-2,5-6H,3-4,7-8H2,(H,13,14)
• InChIKey: WFPNMCKAQLBEMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1',2'-dihydrospiro[cyclopentane-1,3'-indole]-2'-one
• IUPAC Traditional name: 1'H-spiro[cyclopentane-1,3'-indole]-2'-one
• Synonyms: 1',2'-dihydrospiro[cyclopentane-1,3'-indole]-2'-one

Database IDs

• MDL Number: MFCD11935112
• PubChem SID: 164331781
• PubChem CID: 363343

CALCULATED PROPERTIES

• Acid pKa: 13.240786
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5964622
• LogD (pH = 7.4): 2.5964615
• Log P: 2.5964622
• Molar Refractivity: 56.0602 cm^3
• Polarizability: 21.111847 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.139

Product Information

• Purity: 95%