A1ED2

1-methylpyridin-2-one

Created:	2024-10-17
Last modified:	2025-08-27

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1 entries where A1ED2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	0

2D diagram of A1ED2

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Chemical Component Summary
Name	1-methylpyridin-2-one
Synonyms	694-85-9
Systematic Name (OpenEye OEToolkits)	1-methylpyridin-2-one
Formula	C₆ H₇ N O
Molecular Weight	109.126
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1C=CC=CC1=O
SMILES	OpenEye OEToolkits	2.0.7	CN1C=CC=CC1=O
Canonical SMILES	CACTVS	3.385	CN1C=CC=CC1=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN1C=CC=CC1=O
InChI	InChI	1.06	InChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey	InChI	1.06	DVVGIUUJYPYENY-UHFFFAOYSA-N

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.