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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL295337
CHEMBL295337
Compound Name
ChEMBL Synonyms Pent-1-ene | 1-Pentene
Max Phase 0
Trade Names
Molecular Formula C5H10

Additional synonyms for CHEMBL295337 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC=C
Standard InChI InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3
Standard InChI Key YWAKXRMUMFPDSH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL295337

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 1.97 2 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
- - 2.85 2.85 0 5 0.44

Structural Alerts

There are 3 structural alerts for CHEMBL295337. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YWAKXRMUMFPDSH-UHFFFAOYSA-N
PubChem SID: 144207478 SID: 17389439

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL295337



ACToR 25377-72-4 68814-91-5 68527-11-7 109-67-1
Brenda 175090
eMolecules 491089
EPA CompTox Dashboard DTXSID7025849
FDA SRS ALP8M0LU81
IBM Patent System C78B0E24DA084027DD349FF5FEFA89E8 0BE243A567EC5CA165A0EABFBFE06D70
MolPort MolPort-001-768-899
Nikkaji J5.088A
NMRShiftDB 10026446
PubChem 8004
PubChem: Thomson Pharma 15170343
SureChEMBL SCHEMBL7040
ZINC ZINC000002013500

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