1-benzyl-2',2'-dimethyl-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2-one hydrochloride

• ChemBase ID: 184800
• Molecular Formular: C20H23ClN2O
• Molecular Mass: 342.86242
• Monoisotopic Mass: 342.14989105
• SMILES: C12(C(=O)N(c3c1cccc3)Cc1ccccc1)C(NCC2)(C)C.Cl
• Canonical SMILES: O=C1N(Cc2ccccc2)c2c(C31CCNC3(C)C)cccc2.Cl
• InChI: InChI=1S/C20H22N2O.ClH/c1-19(2)20(12-13-21-19)16-10-6-7-11-17(16)22(18(20)23)14-15-8-4-3-5-9-15;/h3-11,21H,12-14H2,1-2H3;1H
• InChIKey: ABWFTVCXLDTRLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2',2'-dimethyl-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2-one hydrochloride
• IUPAC Traditional name: 1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one hydrochloride

Database IDs

• PubChem SID: 164240710
• PubChem CID: 52993397

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.20099118
• LogD (pH = 7.4): 0.31637394
• Log P: 3.0281363
• Molar Refractivity: 91.9211 cm^3
• Polarizability: 35.94102 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds