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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL12338
CHEMBL12338
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C5H10N2O

Additional synonyms for CHEMBL12338 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(C)C1=O
Standard InChI InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3
Standard InChI Key CYSGHNMQYZDMIA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL12338

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
114.2 114.0793 -0.02 0 23.55 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .55 .55 0 8 0.43

Structural Alerts

There are no structural alerts for CHEMBL12338

Compound Cross References

ChemSpider ChemSpider:CYSGHNMQYZDMIA-UHFFFAOYSA-N
Wikipedia 1,3-Dimethyl-2-imidazolidinone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL12338



ACToR 80-73-9
ChemicalBook CB3332975
eMolecules 487202
EPA CompTox Dashboard DTXSID1073153
FDA SRS 5C1YQQ9M90
IBM Patent System 7934BADBA313403B3FF69680329B12BB
Mcule MCULE-4012400107
MolPort MolPort-000-146-035
Nikkaji J11.846J
NMRShiftDB 10008856
PubChem 6661
PubChem: Thomson Pharma 15194356
SureChEMBL SCHEMBL3043
ZINC ZINC000000164649

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