Chemical Components in the PDB

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1BZ : Summary

Code

1BZ

One-letter code

X

Molecule name

6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one

Systematic names

ProgramVersionName
ACDLabs 12.01 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one
OpenEye OEToolkits 1.7.6 4-methyl-1-oxidanyl-6-(phenylmethyl)pyridin-2-one

Formula

C13 H13 N O2

Formal charge

0

Molecular weight

215.248 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1C=C(C=C(N1O)Cc2ccccc2)C
SMILES CACTVS 3.370 CC1=CC(=O)N(O)C(=C1)Cc2ccccc2
SMILES OpenEye OEToolkits 1.7.6 CC1=CC(=O)N(C(=C1)Cc2ccccc2)O
Canonical SMILES CACTVS 3.370 CC1=CC(=O)N(O)C(=C1)Cc2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.6 CC1=CC(=O)N(C(=C1)Cc2ccccc2)O

IUPAC InChI

InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3

IUPAC InChI key

AVLZAVSZOAQKRC-UHFFFAOYSA-N
1BZ

wwPDB Information

Atom count

29 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-11-29

Last modified at

2013-05-17

Status

Released

Obsoleted

Not Assigned