1''-methyl-1'',2''-dihydrodispiro[cyclopentane-1,2'-pyrrolidine-3',3''-indole]-2''-one hydrochloride

• ChemBase ID: 181988
• Molecular Formular: C16H21ClN2O
• Molecular Mass: 292.80374
• Monoisotopic Mass: 292.13424098
• SMILES: C12(C(=O)N(c3c1cccc3)C)C1(NCC2)CCCC1.Cl
• Canonical SMILES: O=C1N(C)c2c(C31CCNC13CCCC1)cccc2.Cl
• InChI: InChI=1S/C16H20N2O.ClH/c1-18-13-7-3-2-6-12(13)16(14(18)19)10-11-17-15(16)8-4-5-9-15;/h2-3,6-7,17H,4-5,8-11H2,1H3;1H
• InChIKey: BMCZVTVECKBKIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1''-methyl-1'',2''-dihydrodispiro[cyclopentane-1,2'-pyrrolidine-3',3''-indole]-2''-one hydrochloride
• IUPAC Traditional name: 1''-methyldispiro[cyclopentane-1,2'-pyrrolidine-3',3''-indole]-2''-one hydrochloride

Database IDs

• PubChem SID: 164237898
• PubChem CID: 52993222

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3492343
• LogD (pH = 7.4): -0.96977246
• Log P: 1.884982
• Molar Refractivity: 74.5543 cm^3
• Polarizability: 29.278585 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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