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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL293075
CHEMBL293075
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H15NO

Additional synonyms for CHEMBL293075 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1(CC)CCNC1=O
Standard InChI InChI=1S/C8H15NO/c1-3-8(4-2)5-6-9-7(8)10/h3-6H2,1-2H3,(H,9,1 ...
Download InChI
Standard InChI Key WYPUMACPRYGQOM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL293075

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
141.2 141.1154 1.42 2 29.1 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .15 .84 .84 0 10 0.62

Structural Alerts

There are no structural alerts for CHEMBL293075

Compound Cross References

ChemSpider ChemSpider:WYPUMACPRYGQOM-UHFFFAOYSA-N
PubChem SID: 29217539
Wikipedia 3,3-Diethyl-2-pyrrolidinone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL293075



eMolecules 536838
EPA CompTox Dashboard DTXSID60430723
IBM Patent System 3501DA9A40A08DF1B1B494D45DB690A1
Mcule MCULE-8163445045
MolPort MolPort-003-940-950
Nikkaji J746.317K
PubChem 9793807
PubChem: Thomson Pharma 14747774
SureChEMBL SCHEMBL1605832
ZINC ZINC000013755863

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