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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

Structural Alerts

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

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

Compound Cross References

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

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL205082



BindingDB 50182584
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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