U1X

N-phenylpyrrolidine-1-carboxamide

Created:	2023-08-29
Last modified:	2023-11-29

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1 entries where U1X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	6

2D diagram of U1X

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Chemical Component Summary
Name	N-phenylpyrrolidine-1-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-phenylpyrrolidine-1-carboxamide
Formula	C₁₁ H₁₄ N₂ O
Molecular Weight	190.242
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccccc1)N1CCCC1
SMILES	CACTVS	3.385	O=C(Nc1ccccc1)N2CCCC2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NC(=O)N2CCCC2
Canonical SMILES	CACTVS	3.385	O=C(Nc1ccccc1)N2CCCC2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NC(=O)N2CCCC2
InChI	InChI	1.06	InChI=1S/C11H14N2O/c14-11(13-8-4-5-9-13)12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,14)
InChIKey	InChI	1.06	NTBKXPQLQPBJJL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	791811
ChEMBL	CHEMBL1709120
CCDC/CSD	UPISIW
COD	1503124, 1513315

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.