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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL166223
CHEMBL166223
Compound Name FURAN-2(5H)-ONE
ChEMBL Synonyms Furan-2(5H)-one
Max Phase 0
Trade Names
Molecular Formula C4H4O2

Additional synonyms for CHEMBL166223 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1OCC=C1
Standard InChI InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2
Standard InChI Key VIHAEDVKXSOUAT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL166223

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
84.1 84.0211 0.39 0 26.3 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.67 -.67 0 6 0.4

Structural Alerts

There are 4 structural alerts for CHEMBL166223. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VIHAEDVKXSOUAT-UHFFFAOYSA-N
Wikipedia 2-Furanone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL166223



ACToR 497-23-4
BindingDB 50360798
ChEBI 38118
eMolecules 494290
EPA CompTox Dashboard DTXSID7075422
FDA SRS 8KXK25H388
Human Metabolome Database HMDB0032330
IBM Patent System CE5D8F22227E47D5C46CB7420AA1B774
KEGG Ligand C17601
Mcule MCULE-4296503663
MolPort MolPort-000-871-250
Nikkaji J3.297.931I J82.323F
NMRShiftDB 20055555
PubChem 10341
PubChem: Thomson Pharma 15146307
SureChEMBL SCHEMBL25302
ZINC ZINC000001682476

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/VIHAEDVKXSOUAT-UHFFFAOYSA-N spacer
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