Chemical Components in the PDB

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2MI : Summary

Code

2MI

One-letter code

X

Molecule name

2-METHYL-1H-INDOLE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-methyl-1H-indole
OpenEye OEToolkits 1.5.0 2-methyl-1H-indole

Formula

C9 H9 N

Formal charge

0

Molecular weight

131.174 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 c1cccc2c1cc(n2)C
SMILES CACTVS 3.341 Cc1[nH]c2ccccc2c1
SMILES OpenEye OEToolkits 1.5.0 Cc1cc2ccccc2[nH]1
Canonical SMILES CACTVS 3.341 Cc1[nH]c2ccccc2c1
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1cc2ccccc2[nH]1

IUPAC InChI

InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3

IUPAC InChI key

BHNHHSOHWZKFOX-UHFFFAOYSA-N
2MI

wwPDB Information

Atom count

19 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-11-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned