Chemical Components in the PDB

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67N : Summary

Code

67N

One-letter code

X

Molecule name

6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one

Systematic names

ProgramVersionName
ACDLabs 12.01 6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
OpenEye OEToolkits 2.0.4 6-methyl-1~{H}-pyrrolo[2,3-c]pyridin-7-one

Formula

C8 H8 N2 O

Formal charge

0

Molecular weight

148.162 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C=1c2c(C(=O)N(C=1)C)ncc2
SMILES CACTVS 3.385 CN1C=Cc2cc[nH]c2C1=O
SMILES OpenEye OEToolkits 2.0.4 CN1C=Cc2cc[nH]c2C1=O
Canonical SMILES CACTVS 3.385 CN1C=Cc2cc[nH]c2C1=O
Canonical SMILES OpenEye OEToolkits 2.0.4 CN1C=Cc2cc[nH]c2C1=O

IUPAC InChI

InChI=1S/C8H8N2O/c1-10-5-3-6-2-4-9-7(6)8(10)11/h2-5,9H,1H3

IUPAC InChI key

ZLKWLYKVKAVOMD-UHFFFAOYSA-N
67N

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-02-12

Last modified at

2016-10-07

Status

Released

Obsoleted

Not Assigned