U5H

(5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one

Created:	2021-01-22
Last modified:	2022-03-02

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1 entries where U5H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	6

2D diagram of U5H

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Chemical Component Summary
Name	(5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
Systematic Name (OpenEye OEToolkits)	(5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
Formula	C₁₀ H₁₂ N₂ O
Molecular Weight	176.215
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1[CH](CCC1=O)c2cccnc2
SMILES	OpenEye OEToolkits	2.0.7	CN1C(CCC1=O)c2cccnc2
Canonical SMILES	CACTVS	3.385	CN1[C@@H](CCC1=O)c2cccnc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN1[C@@H](CCC1=O)c2cccnc2
InChI	InChI	1.03	InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
InChIKey	InChI	1.03	UIKROCXWUNQSPJ-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
PubChem	854019
ChEMBL	CHEMBL578211
ChEBI	CHEBI:68641

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.