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

NYI

Summary
Name:4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one
Formula:C11 H10 N2 O2
Formal charge:0
Formula weight:202.209 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits3.1.0.04-prop-2-enoyl-1,3-dihydroquinoxalin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C11H10N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h2-6H,1,7H2,(H,12,14)
InChIKeyInChI1.06JQTQCSOPRIYFTH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C=CC(=O)N1CC(=O)Nc2ccccc12
SMILESCACTVS3.385C=CC(=O)N1CC(=O)Nc2ccccc12
SMILES_CANONICALOpenEye OEToolkits3.1.0.0C=CC(=O)N1CC(=O)Nc2c1cccc2
SMILESOpenEye OEToolkits3.1.0.0C=CC(=O)N1CC(=O)Nc2c1cccc2

224931

PDB entries from 2024-09-11

PDB statisticsPDBj update infoContact PDBjnumon