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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL276849
CHEMBL276849
Compound Name 2-PYRROLIDONE
ChEMBL Synonyms Pyrrolidin-2-one
Max Phase 0
Trade Names
Molecular Formula C4H7NO

Additional synonyms for CHEMBL276849 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1CCCN1
Standard InChI InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
Standard InChI Key HNJBEVLQSNELDL-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL276849

Alternate Forms of Compound in ChEMBL


CHEMBL276849

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
85.1 85.0528 -0.37 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
- .06 -1.09 -1.09 0 6 0.43

Compound Cross References

ChemSpider ChemSpider:HNJBEVLQSNELDL-UHFFFAOYSA-N
PubChem SID: 144208828 SID: 144213576
Wikipedia 2-Pyrrolidone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL276849



ACToR 616-45-5 22580-55-8
ChEBI 36592
eMolecules 490964
FDA SRS KKL5D39EOL
Human Metabolome Database HMDB02039
IBM Patent System 3DFC6B353BAC338B181F4F9FE73FA0E5 5C3832BE2205992AF35B1A8BF9F4DBCA
Mcule MCULE-3061780794
MolPort MolPort-003-928-391
Nikkaji J1.663B
NMRShiftDB 10008988
PDBe BAQ
PubChem 12025
PubChem: Thomson Pharma 15090787
SureChEMBL SCHEMBL2389
ZINC ZINC14684428

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