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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL344042
CHEMBL344042
Compound Name
ChEMBL Synonyms beta-propiolactam
Max Phase 0
Trade Names
Molecular Formula C3H5NO

Additional synonyms for CHEMBL344042 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1CCN1
Standard InChI InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)
Standard InChI Key MNFORVFSTILPAW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL344042

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
71.1 71.0371 -0.49 0 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
- - -1.62 -1.62 0 5 0.38

Structural Alerts

There are 3 structural alerts for CHEMBL344042. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MNFORVFSTILPAW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL344042



ACToR 930-21-2
ChEBI 327119
eMolecules 478422
EPA CompTox Dashboard DTXSID30239225
IBM Patent System 1C9230FE859F61D5FF848BFE915435C9
MolPort MolPort-001-763-849
Nikkaji J80.017A
NMRShiftDB 10025318
PubChem 136721
PubChem: Thomson Pharma 15114415
SureChEMBL SCHEMBL42430
ZINC ZINC000004695140

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