1-(2H5)phenyl-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 167658
• Molecular Formular: C14H11NO
• Molecular Mass: 209.24324
• Monoisotopic Mass: 209.08406398
• SMILES: c1ccc2c(c1)CC(=O)N2c1ccccc1
• Canonical SMILES: O=C1Cc2c(N1c1ccccc1)cccc2
• InChI: InChI=1S/C14H11NO/c16-14-10-11-6-4-5-9-13(11)15(14)12-7-2-1-3-8-12/h1-9H,10H2
• InChIKey: OWPNVXATCSXTBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(^2H₅)phenyl-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: 1-(^2H₅)phenyl-3H-indol-2-one
• Synonyms: 1-Phenyl-2-indolinone-d5; 1-Phenyl-oxindole-d5; NSC 234518-d5; 1,3-Dihydro-1-d5-phenyl-2H-indol-2-one

Database IDs

• CAS Number: 1189871-32-6
• PubChem SID: 162261791
• PubChem CID: 45039031

CALCULATED PROPERTIES

• Acid pKa: 13.334321
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5940747
• LogD (pH = 7.4): 2.5940742
• Log P: 2.5940747
• Molar Refractivity: 62.4784 cm^3
• Polarizability: 24.093315 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; DMSO; Ethyl Acetate
• Apperance: Light Pink Solid