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

• ChemBase ID: 182513
• Molecular Formular: C19H21ClN2O2
• Molecular Mass: 344.83524
• Monoisotopic Mass: 344.1291556
• SMILES: C12(C(=O)N(c3c1cccc3)C)[C@@H](NCC2)c1ccc(cc1)OC.Cl
• Canonical SMILES: COc1ccc(cc1)[C@@H]1NCCC21c1ccccc1N(C2=O)C.Cl
• InChI: InChI=1S/C19H20N2O2.ClH/c1-21-16-6-4-3-5-15(16)19(18(21)22)11-12-20-17(19)13-7-9-14(23-2)10-8-13;/h3-10,17,20H,11-12H2,1-2H3;1H/t17-,19?;/m0./s1
• InChIKey: WLCZKVUXRSACMP-XRZIKPEHSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164238423
• PubChem CID: 52993251

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.97554785
• LogD (pH = 7.4): -0.14408056
• Log P: 2.2330804
• Molar Refractivity: 88.9975 cm^3
• Polarizability: 34.7499 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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