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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1370850
CHEMBL1370850
Compound Name CYCLOPENTANE
ChEMBL Synonyms Cyclopentane
Max Phase 0
Trade Names
Molecular Formula C5H10

Additional synonyms for CHEMBL1370850 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCCC1
Standard InChI InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2
Standard InChI Key RGSFGYAAUTVSQA-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1370850

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
70.1 70.0783 1.95 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
- - 2.63 2.63 0 5 0.41

Structural Alerts

There are no structural alerts for CHEMBL1370850

Compound Cross References

ChemSpider ChemSpider:RGSFGYAAUTVSQA-UHFFFAOYSA-N
PubChem SID: 144207400 SID: 17389080

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1370850



ACToR 287-92-3 68476-56-2
Brenda 125486
ChEBI 23492
eMolecules 493466
EPA CompTox Dashboard DTXSID6024886
FDA SRS T86PB90RNU
Mcule MCULE-8453099153
MolPort MolPort-001-789-854
Nikkaji J2.564J
NMRShiftDB 10005925
PubChem 9253
PubChem: Thomson Pharma 15486457
SureChEMBL SCHEMBL2495
ZINC ZINC000001690078

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