ME7

1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione)

Created:	2011-03-04
Last modified:	2024-09-27

Find Related PDB Entry
2 entries where ME7 is found as a standalone ligand4 entries where ME7 is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	0

2D diagram of ME7

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione)
Systematic Name (OpenEye OEToolkits)	1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione
Formula	C₁₀ H₈ N₂ O₄
Molecular Weight	220.182
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N(C(=O)C=C1)CCN2C(=O)C=CC2=O
SMILES	CACTVS	3.370	O=C1C=CC(=O)N1CCN2C(=O)C=CC2=O
SMILES	OpenEye OEToolkits	1.7.0	C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O
Canonical SMILES	CACTVS	3.370	O=C1C=CC(=O)N1CCN2C(=O)C=CC2=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O
InChI	InChI	1.03	InChI=1S/C10H8N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2
InChIKey	InChI	1.03	PUKLCKVOVCZYKF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	237509
CCDC/CSD	OQODAB

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.