Chemical Components in the PDB

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HNH : Summary

Code

HNH

One-letter code

X

Molecule name

5-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol

Synonyms

6-hydroxy-N-Methyl-myosmine

Systematic names

ProgramVersionName
ACDLabs 12.01 5-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol
OpenEye OEToolkits 1.7.0 5-(1-methyl-2,3-dihydropyrrol-5-yl)pyridin-2-ol

Formula

C10 H12 N2 O

Formal charge

0

Molecular weight

176.215 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n2cc(C1=CCCN1C)ccc2O
SMILES CACTVS 3.370 CN1CCC=C1c2ccc(O)nc2
SMILES OpenEye OEToolkits 1.7.0 CN1CCC=C1c2ccc(nc2)O
Canonical SMILES CACTVS 3.370 CN1CCC=C1c2ccc(O)nc2
Canonical SMILES OpenEye OEToolkits 1.7.0 CN1CCC=C1c2ccc(nc2)O

IUPAC InChI

InChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)

IUPAC InChI key

LWGKCPAYDQWMMS-UHFFFAOYSA-N
HNH

wwPDB Information

Atom count

25 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-06-29

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned