Chemical Components in the PDB

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89Q : Summary

Code

89Q

One-letter code

X

Molecule name

4-(cyclopropylmethoxy)benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-(cyclopropylmethoxy)benzamide

Formula

C11 H13 N O2

Formal charge

0

Molecular weight

191.226 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=O)c1ccc(OCC2CC2)cc1
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C(=O)N)OCC2CC2
Canonical SMILES CACTVS 3.385 NC(=O)c1ccc(OCC2CC2)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C(=O)N)OCC2CC2

IUPAC InChI

InChI=1S/C11H13NO2/c12-11(13)9-3-5-10(6-4-9)14-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,12,13)

IUPAC InChI key

SEHBIQLFBDRLMB-UHFFFAOYSA-N
89Q

wwPDB Information

Atom count

27 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-10-07

Last modified at

2022-08-22

Status

Released

Obsoleted

Not Assigned