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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL52190
CHEMBL52190
Compound Name
ChEMBL Synonyms Cyclopent-2-Enone
Max Phase 0
Trade Names
Molecular Formula C5H6O

Additional synonyms for CHEMBL52190 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1CCC=C1
Standard InChI InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2
Standard InChI Key BZKFMUIJRXWWQK-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL52190

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
82.1 82.0419 0.84 0 17.07 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.11 -.11 0 6 0.42

Structural Alerts

There are 4 structural alerts for CHEMBL52190. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BZKFMUIJRXWWQK-UHFFFAOYSA-N
Wikipedia Cyclopentenone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL52190



ACToR 930-30-3 28982-58-3
eMolecules 495851
FDA SRS Q0U2IGF9CK
IBM Patent System 3B54F8BC0A9B8E06FDE97D37CB7AE597 7F2FA52BECE2257FC849E88F536DADD8
Mcule MCULE-1844779047
MolPort MolPort-001-770-786
Nikkaji J80.018J
NMRShiftDB 10015782
PubChem 13588
PubChem: Thomson Pharma 15194167
SureChEMBL SCHEMBL24628
ZINC ZINC02569653

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