(2'S)-1-benzyl-2'-(4-methoxyphenyl)-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2-one hydrochloride

• ChemBase ID: 181399
• Molecular Formular: C25H25ClN2O2
• Molecular Mass: 420.9312
• Monoisotopic Mass: 420.16045573
• SMILES: C12(C(=O)N(c3c1cccc3)Cc1ccccc1)[C@@H](NCC2)c1ccc(cc1)OC.Cl
• Canonical SMILES: COc1ccc(cc1)[C@@H]1NCCC21C(=O)N(c1c2cccc1)Cc1ccccc1.Cl
• InChI: InChI=1S/C25H24N2O2.ClH/c1-29-20-13-11-19(12-14-20)23-25(15-16-26-23)21-9-5-6-10-22(21)27(24(25)28)17-18-7-3-2-4-8-18;/h2-14,23,26H,15-17H2,1H3;1H/t23-,25?;/m0./s1
• InChIKey: FSMAPWUBZOBXGX-CPRVELNDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2'S)-1-benzyl-2'-(4-methoxyphenyl)-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2-one hydrochloride
• IUPAC Traditional name: (2'S)-1-benzyl-2'-(4-methoxyphenyl)spiro[indole-3,3'-pyrrolidine]-2-one hydrochloride

Database IDs

• PubChem SID: 164237309
• PubChem CID: 52993178

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.74907833
• LogD (pH = 7.4): 1.5821687
• Log P: 3.9575534
• Molar Refractivity: 113.6101 cm^3
• Polarizability: 44.364754 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Description: Isomers (1:7)
• Classification: Rare Derivatives of Natural Compounds