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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL22830
CHEMBL22830
Compound Name PYRROLIDINE
ChEMBL Synonyms Pyrrolidine
Max Phase 0
Trade Names
Molecular Formula C4H9N

Additional synonyms for CHEMBL22830 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCNC1
Standard InChI InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
Standard InChI Key RWRDLPDLKQPQOW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL22830

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 71.0735 0.25 0 12.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.5 .09 -2.71 0 5 0.43

Structural Alerts

There are no structural alerts for CHEMBL22830

Compound Cross References

ChemSpider ChemSpider:RWRDLPDLKQPQOW-UHFFFAOYSA-N
Wikipedia Pyrrolidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL22830



ACToR 123-75-1
BindingDB 50026437
Brenda 15940
ChEBI 33135
eMolecules 504225
EPA CompTox Dashboard DTXSID3059559
FDA SRS LJU5627FYV
Human Metabolome Database HMDB0031641
IBM Patent System 2C725344D2690701DAC1CAD11C44286A
Mcule MCULE-2816679267
MolPort MolPort-000-871-501
Nikkaji J2.931I
NMRShiftDB 10019915
PDBe VES
PubChem 31268
PubChem: Thomson Pharma 15146280
SureChEMBL SCHEMBL2561
ZINC ZINC000001690615

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