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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1797299
CHEMBL1797299
Compound Name CYCLOPENTENE
ChEMBL Synonyms Cyclopentene
Max Phase 0
Trade Names
Molecular Formula C5H8

Additional synonyms for CHEMBL1797299 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CC=CC1
Standard InChI InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2
Standard InChI Key LPIQUOYDBNQMRZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1797299

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
68.1 68.0626 1.84 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.39 2.39 0 5 0.38

Structural Alerts

There are 1 structural alerts for CHEMBL1797299. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LPIQUOYDBNQMRZ-UHFFFAOYSA-N
Wikipedia Cyclopentene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1797299



ACToR 142-29-0
ChEBI 49155
eMolecules 495844
EPA CompTox Dashboard DTXSID6029171
FDA SRS ONM2CKV81Z
IBM Patent System CF5DBE119869E595EFC5F9BC31413519 10D1868E655BA4DDA6625A5DF51FECD4 13A472D15C77DFBBB18C96EBDAECA32C
Mcule MCULE-8785635218
MolPort MolPort-001-759-289
Nikkaji J34.912G
NMRShiftDB 10009497
PubChem 8882
PubChem: Thomson Pharma 15363425
SureChEMBL SCHEMBL9112
ZINC ZINC000001680735

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