arecaidine propargyl ester   Click here for help

GtoPdb Ligand ID: 295

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 29.54
Molecular weight 179.09
XLogP 0.44
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CC(=CCC1)C(=O)OCC#C
Isomeric SMILES CN1CC(=CCC1)C(=O)OCC#C
InChI InChI=1S/C10H13NO2/c1-3-7-13-10(12)9-5-4-6-11(2)8-9/h1,5H,4,6-8H2,2H3
InChI Key SPHRJZBOFYIKMC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
prop-2-ynyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate
Database Links Click here for help
ChEMBL Ligand CHEMBL128365
GtoPdb PubChem SID 135649955
PubChem CID 2229
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