ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1796999
CHEMBL1796999
Compound Name CYCLOPROPANE
ChEMBL Synonyms CYCLOPROPANE | TRIMETHYLENE
Max Phase 0
Trade Names
Molecular Formula C3H6

Additional synonyms for CHEMBL1796999 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CC1
Standard InChI InChI=1S/C3H6/c1-2-3-1/h1-3H2
Standard InChI Key LVZWSLJZHVFIQJ-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1796999

Molecule Features

CHEMBL1796999 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov CYCLOPROPANE
The Cochrane Collaboration CYCLOPROPANE

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
42.1 42.047 1.37 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
- - 1.58 1.58 0 3 0.38

Structural Alerts

There are no structural alerts for CHEMBL1796999

Compound Cross References

ChemSpider ChemSpider:LVZWSLJZHVFIQJ-UHFFFAOYSA-N
Wikipedia Cyclopropane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1796999



ACToR 75-19-4 151821-32-8
ChEBI 30365
eMolecules 495225
EPA CompTox Dashboard DTXSID4058786
FDA SRS 99TB643425
Nikkaji J1.444C
NMRShiftDB 30000705
PubChem 6351
PubChem: Thomson Pharma 15437050
SureChEMBL SCHEMBL173

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