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

• ChemBase ID: 183749
• Molecular Formular: C18H19ClN2O
• Molecular Mass: 314.80926
• Monoisotopic Mass: 314.11859092
• SMILES: C12(C(=O)N(c3c1cccc3)C)[C@@H](NCC2)c1ccccc1.Cl
• Canonical SMILES: CN1c2ccccc2C2(C1=O)CCN[C@H]2c1ccccc1.Cl
• InChI: InChI=1S/C18H18N2O.ClH/c1-20-15-10-6-5-9-14(15)18(17(20)21)11-12-19-16(18)13-7-3-2-4-8-13;/h2-10,16,19H,11-12H2,1H3;1H/t16-,18?;/m0./s1
• InChIKey: LYPGQEYTYMUCST-DMYPFFKMSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164239659
• PubChem CID: 52993326

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8235732
• LogD (pH = 7.4): -0.05780448
• Log P: 2.3907516
• Molar Refractivity: 82.5343 cm^3
• Polarizability: 32.24949 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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