Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

W2M

Summary
Name:(2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one
Formula:C12 H14 N2 O
Formal charge:0
Formula weight:202.252 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one
OpenEye OEToolkits2.0.7(3~{R})-spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N3C2(Cc1c(cccc1)NC2=O)CCC3
InChIInChI1.03InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m1/s1
InChIKeyInChI1.03ABOZUPQQWCLVDB-GFCCVEGCSA-N
SMILES_CANONICALCACTVS3.385O=C1Nc2ccccc2C[C@]13CCCN3
SMILESCACTVS3.385O=C1Nc2ccccc2C[C]13CCCN3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)C[C@]3(CCCN3)C(=O)N2
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)CC3(CCCN3)C(=O)N2

218196

PDB entries from 2024-04-10

PDB statisticsPDBj update infoContact PDBjnumon