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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

Structural Alerts

There are no structural alerts for CHEMBL22830

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

Compound Cross References

ChemSpider ChemSpider:RWRDLPDLKQPQOW-UHFFFAOYSA-N
Wikipedia Pyrrolidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL22830



ACToR 123-75-1
BindinDB 50026437
ChEBI 33135
eMolecules 504225
FDA SRS LJU5627FYV
Human Metabolome Database HMDB31641
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

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