KK0

(5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one

Created:	2022-05-26
Last modified:	2022-09-21

Find Related PDB Entry
1 entries where KK0 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	24
Aromatic Bond Count	6

2D diagram of KK0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one
Systematic Name (OpenEye OEToolkits)	(5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one
Formula	C₁₀ H₁₀ Cl N O
Molecular Weight	195.645
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1ccc(cc1)[CH]2CCC(=O)N2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C2CCC(=O)N2)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc(cc1)[C@@H]2CCC(=O)N2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1[C@@H]2CCC(=O)N2)Cl
InChI	InChI	1.06	InChI=1S/C10H10ClNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)/t9-/m0/s1
InChIKey	InChI	1.06	BSYBLMDNOUEPRW-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
PubChem	71662117

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.