Chemical Components in the PDB

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7JR : Summary

Code

7JR

One-letter code

X

Molecule name

1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one

Synonyms

3-hydroxy-1-methyl-5-phenylpyridin-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one

Formula

C12 H11 N O2

Formal charge

0

Molecular weight

201.221 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN1C=C(C=C(O)C1=O)c2ccccc2
SMILES OpenEye OEToolkits 2.0.6 CN1C=C(C=C(C1=O)O)c2ccccc2
Canonical SMILES CACTVS 3.385 CN1C=C(C=C(O)C1=O)c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.6 CN1C=C(C=C(C1=O)O)c2ccccc2

IUPAC InChI

InChI=1S/C12H11NO2/c1-13-8-10(7-11(14)12(13)15)9-5-3-2-4-6-9/h2-8,14H,1H3

IUPAC InChI key

NDVZUSAEFIBAFV-UHFFFAOYSA-N
7JR

wwPDB Information

Atom count

26 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-11-02

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned