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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL205082
CHEMBL205082
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H21NO

Additional synonyms for CHEMBL205082 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(N1CCCC1)C(=O)c2ccccc2
Standard InChI InChI=1S/C15H21NO/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5 ...
Download InChI
Standard InChI Key YDIIDRWHPFMLGR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL205082

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
231.3 231.1623 3.5 5 20.31 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.49 3.18 2.06 1 17 0.72

Structural Alerts

There are 1 structural alerts for CHEMBL205082. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YDIIDRWHPFMLGR-UHFFFAOYSA-N
Wikipedia Alpha-Pyrrolidinopentiophenone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL205082



BindingDB 50182584
EPA CompTox Dashboard DTXSID70456954
IBM Patent System FA8E6F437CCCC62DEF358D1AFE54F6BA
MolPort MolPort-035-676-768
Nikkaji J3.169.878B
PubChem 11148955
PubChem: Thomson Pharma 16227466
SureChEMBL SCHEMBL4936204

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