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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

Structural Alerts

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

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

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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