γ-butyrolactone   

GtoPdb Ligand ID: 5462

Synonyms: 2-oxolanone | 4-butanolide | gamma-butyrolactone
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 26.3
Molecular weight 86.04
XLogP 0.22
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1CCCO1
Isomeric SMILES O=C1CCCO1
InChI InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
InChI Key YEJRWHAVMIAJKC-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
oxolan-2-one
Synonyms
2-oxolanone | 4-butanolide | gamma-butyrolactone
Database Links
CAS Registry No. 96-48-0
ChEBI CHEBI:42639
ChEMBL Ligand CHEMBL95681
GtoPdb PubChem SID 178102112
PubChem CID 7302
RCSB PDB Ligand GBL
Search Google for chemical match using the InChIKey YEJRWHAVMIAJKC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YEJRWHAVMIAJKC
Search UniChem for chemical match using the InChIKey YEJRWHAVMIAJKC-UHFFFAOYSA-N
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Wikipedia Butyrolactone