5LL

5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione

Created:	2015-10-20
Last modified:	2024-09-27

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1 entries where 5LL is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	5

2D diagram of 5LL

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Chemical Component Summary
Name	5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
Systematic Name (OpenEye OEToolkits)	5-[(~{E})-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
Formula	C₁₁ H₈ N₂ O₄
Molecular Weight	232.192
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1NC(=O)C(=CC=Cc2occc2)C(=O)N1
SMILES	OpenEye OEToolkits	2.0.4	c1cc(oc1)C=CC=C2C(=O)NC(=O)NC2=O
Canonical SMILES	CACTVS	3.385	O=C1NC(=O)C(=C/C=C/c2occc2)C(=O)N1
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1cc(oc1)/C=C/C=C2C(=O)NC(=O)NC2=O
InChI	InChI	1.03	InChI=1S/C11H8N2O4/c14-9-8(10(15)13-11(16)12-9)5-1-3-7-4-2-6-17-7/h1-6H,(H2,12,13,14,15,16)/b3-1+
InChIKey	InChI	1.03	PRGJOMANJQAXIH-HNQUOIGGSA-N

Related Resource References

Resource Name	Reference
PubChem	690389

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