(1R)-1''-benzyl-1'',2''-dihydrodispiro[cyclopentane-1,2'-pyrrolidine-3',3''-indole]-2''-one hydrochloride

• ChemBase ID: 184137
• Molecular Formular: C22H25ClN2O
• Molecular Mass: 368.8997
• Monoisotopic Mass: 368.16554111
• SMILES: C12(C(=O)N(c3c1cccc3)Cc1ccccc1)C1(NCC2)CCCC1.Cl
• Canonical SMILES: O=C1N(Cc2ccccc2)c2c(C31CCNC13CCCC1)cccc2.Cl
• InChI: InChI=1S/C22H24N2O.ClH/c25-20-22(14-15-23-21(22)12-6-7-13-21)18-10-4-5-11-19(18)24(20)16-17-8-2-1-3-9-17;/h1-5,8-11,23H,6-7,12-16H2;1H
• InChIKey: VGYBGNMCFWDHKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1''-benzyl-1'',2''-dihydrodispiro[cyclopentane-1,2'-pyrrolidine-3',3''-indole]-2''-one hydrochloride
• IUPAC Traditional name: (1R)-1''-benzyldispiro[cyclopentane-1,2'-pyrrolidine-3',3''-indole]-2''-one hydrochloride

Database IDs

• PubChem SID: 164240047
• PubChem CID: 52993354

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.7559741
• Log P: 3.609455
• Molar Refractivity: 99.1669 cm^3
• Polarizability: 38.895084 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3752773

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds