8HJ

7-oxidanyl-3,4-dihydro-1~{H}-quinolin-2-one

Created:	2017-02-07
Last modified:	2017-03-15

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1 entries where 8HJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of 8HJ

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Chemical Component Summary
Name	7-oxidanyl-3,4-dihydro-1~{H}-quinolin-2-one
Systematic Name (OpenEye OEToolkits)	7-oxidanyl-3,4-dihydro-1~{H}-quinolin-2-one
Formula	C₉ H₉ N O₂
Molecular Weight	163.173
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccc2CCC(=O)Nc2c1
SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(cc1O)NC(=O)CC2
Canonical SMILES	CACTVS	3.385	Oc1ccc2CCC(=O)Nc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(cc1O)NC(=O)CC2
InChI	InChI	1.03	InChI=1S/C9H9NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1,3,5,11H,2,4H2,(H,10,12)
InChIKey	InChI	1.03	LKLSFDWYIBUGNT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2785758
ChEMBL	CHEMBL2430711
CCDC/CSD	XAZHEN
COD	2235460

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.