Chemical Components in the PDB

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HNL : Summary

Code

HNL

One-letter code

X

Molecule name

5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol

Synonyms

6-hydroxy-L-nicotine

Systematic names

ProgramVersionName
ACDLabs 11.02 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol
OpenEye OEToolkits 1.6.1 5-[(1R,2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol

Formula

C10 H14 N2 O

Formal charge

0

Molecular weight

178.231 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 n1cc(ccc1O)C2N(C)CCC2
SMILES CACTVS 3.352 CN1CCC[CH]1c2ccc(O)nc2
SMILES OpenEye OEToolkits 1.7.0 CN1CCCC1c2ccc(nc2)O
Canonical SMILES CACTVS 3.352 CN1CCC[C@H]1c2ccc(O)nc2
Canonical SMILES OpenEye OEToolkits 1.7.0 C[N@@]1CCC[C@H]1c2ccc(nc2)O

IUPAC InChI

InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m0/s1

IUPAC InChI key

ATRCOGLZUCICIV-VIFPVBQESA-N
HNL

wwPDB Information

Atom count

27 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-10-14

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned