VES

Pyrrolidine

Created:	2013-04-23
Last modified:	2024-09-27

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2 entries where VES is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	0

2D diagram of VES

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Chemical Component Summary
Name	Pyrrolidine
Systematic Name (OpenEye OEToolkits)	pyrrolidine
Formula	C₄ H₉ N
Molecular Weight	71.121
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1CCCC1
SMILES	CACTVS	3.385	C1CCNC1
SMILES	OpenEye OEToolkits	1.9.2	C1CCNC1
Canonical SMILES	CACTVS	3.385	C1CCNC1
Canonical SMILES	OpenEye OEToolkits	1.9.2	C1CCNC1
InChI	InChI	1.03	InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
InChIKey	InChI	1.03	RWRDLPDLKQPQOW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB16858
Name	Pyrrolidine
Groups	investigational
Synonyms	Azolidine Butylenimine Pyrrolidine 1-Azacyclopentane Azacyclopentane
CAS number	123-75-1

Related Resource References

Resource Name	Reference
PubChem	31268
ChEMBL	CHEMBL22830
ChEBI	CHEBI:33135
CCDC/CSD	EFUMAU01, BUDQUO, EFUMAU, EFUMAU02, CUNXIS, CUNXIS10, BOWXEQ, EFUMAU03
COD	7206439, 2016797, 4513599, 4513598, 4513595, 4513594, 4513596, 4513600, 4513593, 7206440, 4513597, 7206441

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.