Chemical Components in the PDB

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IDM : Summary

Code

IDM

One-letter code

X

Molecule name

INDOLINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2,3-dihydro-1H-indole
OpenEye OEToolkits 1.5.0 2,3-dihydro-1H-indole

Formula

C8 H9 N

Formal charge

0

Molecular weight

119.164 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 c1cccc2c1CCN2
SMILES CACTVS 3.341 C1Cc2ccccc2N1
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)CCN2
Canonical SMILES CACTVS 3.341 C1Cc2ccccc2N1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)CCN2

IUPAC InChI

InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2

IUPAC InChI key

LPAGFVYQRIESJQ-UHFFFAOYSA-N
IDM

wwPDB Information

Atom count

18 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned