2'-phenyl-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2-one

• ChemBase ID: 224525
• Molecular Formular: C17H16N2O
• Molecular Mass: 264.32174
• Monoisotopic Mass: 264.12626314
• SMILES: C12(C(=O)Nc3c1cccc3)C(NCC2)c1ccccc1
• Canonical SMILES: O=C1Nc2c(C31CCNC3c1ccccc1)cccc2
• InChI: InChI=1S/C17H16N2O/c20-16-17(13-8-4-5-9-14(13)19-16)10-11-18-15(17)12-6-2-1-3-7-12/h1-9,15,18H,10-11H2,(H,19,20)
• InChIKey: GSGZVMALTPALHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164280435
• PubChem CID: 52994310

CALCULATED PROPERTIES

• Acid pKa: 13.1489935
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.6879494
• LogD (pH = 7.4): 0.073908605
• Log P: 2.5266855
• Molar Refractivity: 79.4184 cm^3
• Polarizability: 30.404821 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds