Chemical Components in the PDB

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JZ9 : Summary

Code

JZ9

One-letter code

X

Molecule name

4,5,6,7-tetrahydro-1H-indole

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 4,5,6,7-tetrahydro-1H-indole

Formula

C8 H11 N

Formal charge

0

Molecular weight

121.18 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 C1CCc2cc[nH]c2C1
SMILES OpenEye OEToolkits 1.7.0 c1c[nH]c2c1CCCC2
Canonical SMILES CACTVS 3.352 C1CCc2cc[nH]c2C1
Canonical SMILES OpenEye OEToolkits 1.7.0 c1c[nH]c2c1CCCC2

IUPAC InChI

InChI=1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-6,9H,1-4H2

IUPAC InChI key

KQBVVLOYXDVATK-UHFFFAOYSA-N
JZ9

wwPDB Information

Atom count

20 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-06-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned