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

C11H8N2O4 — CID 690389

IUPAC5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=C/C=C/c2ccco2)C(=O)N1
InChIInChI=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+
InChIKeyPRGJOMANJQAXIH-HNQUOIGGSA-N
MW232.20 g/mol
LogP0.59
Rot. Bonds2

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

5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 690389) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
PubChem CID690389
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=C/C=C/c2ccco2)C(=O)N1
InChIInChI=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+
InChIKeyPRGJOMANJQAXIH-HNQUOIGGSA-N
XLogP0.59
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

5-Furfurylidene-2-thiobarbituric acid
CID 676561
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1906043
5-[3-(2-furyl)-2-propenylidene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
CID 805156
1,3-diethyl-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 901745
5-Furfurylidenebarbituric acid
CID 96927
5-(5-Phenylsulfanyl-furan-2-ylmethylene)-pyrimidine-2,4,6-trione
CID 1899419
(5E)-1-butyl-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1595371
N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3-(2-furyl)acrylamide
CID 898057
1-allyl-5-(3-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1717859
N-Carbamoyl-3-(furan-2-yl)prop-2-enamide
CID 44522951
5-((5-methylfuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CID 804688
(E/Z)-1-allyl-5-(3-(furan-2-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CID 1905032

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione (CID 690389) is 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(=C/C=C/c2ccco2)C(=O)N1.
What is the InChIKey of 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is PRGJOMANJQAXIH-HNQUOIGGSA-N. The full InChI is 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+.
What are the key properties of 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione?
5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 232.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 690389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).