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

9UL

Summary
Name:(3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole
Formula:C13 H14 N2
Formal charge:0
Formula weight:198.264 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C13H14N2/c1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7-8H2,1H3/b13-11+
InChIKeyInChI1.03HNNADWWHLOZSTI-ACCUITESSA-N
SMILES_CANONICALCACTVS3.385CN\1CCCC\1=C\2C=Nc3ccccc\23
SMILESCACTVS3.385CN1CCCC1=C2C=Nc3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.6CN\1CCC/C1=C\2/C=Nc3c2cccc3
SMILESOpenEye OEToolkits2.0.6CN1CCCC1=C2C=Nc3c2cccc3

222036

数据于2024-07-03公开中

PDB statisticsPDBj update infoContact PDBjnumon