Chemical Components in the PDB

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0OY : Summary

Code

0OY

One-letter code

X

Molecule name

(4-hydroxyphenyl)(morpholin-4-yl)methanone

Systematic names

ProgramVersionName
ACDLabs 12.01 (4-hydroxyphenyl)(morpholin-4-yl)methanone
OpenEye OEToolkits 1.7.6 (4-hydroxyphenyl)-morpholin-4-yl-methanone

Formula

C11 H13 N O3

Formal charge

0

Molecular weight

207.226 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1ccc(O)cc1)N2CCOCC2
SMILES CACTVS 3.370 Oc1ccc(cc1)C(=O)N2CCOCC2
SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1C(=O)N2CCOCC2)O
Canonical SMILES CACTVS 3.370 Oc1ccc(cc1)C(=O)N2CCOCC2
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1C(=O)N2CCOCC2)O

IUPAC InChI

InChI=1S/C11H13NO3/c13-10-3-1-9(2-4-10)11(14)12-5-7-15-8-6-12/h1-4,13H,5-8H2

IUPAC InChI key

GJHYHTYGGHFYNN-UHFFFAOYSA-N
0OY

wwPDB Information

Atom count

28 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-04-04

Last modified at

2012-05-18

Status

Released

Obsoleted

Not Assigned