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

C13H19N3O3 — CID 6392556

IUPAC5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCN(/C=C/C=C1C(=O)N(C)C(=O)N(C)C1=O)CC
InChIInChI=1S/C13H19N3O3/c1-5-16(6-2)9-7-8-10-11(17)14(3)13(19)15(4)12(10)18/h7-9H,5-6H2,1-4H3/b9-7+
InChIKeyALLKHLHKYNHEHU-VQHVLOKHSA-N
MW265.31 g/mol
LogP0.82
Rot. Bonds4

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

5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 6392556) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID6392556
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCN(/C=C/C=C1C(=O)N(C)C(=O)N(C)C1=O)CC
InChIInChI=1S/C13H19N3O3/c1-5-16(6-2)9-7-8-10-11(17)14(3)13(19)15(4)12(10)18/h7-9H,5-6H2,1-4H3/b9-7+
InChIKeyALLKHLHKYNHEHU-VQHVLOKHSA-N
XLogP0.82
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.82
H-Bond Donors ≤ 50
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-((2Z,4E)-5-(Diethylamino)-2-hydroxypenta-2,4-dien-1-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 102531849
5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6282221
5-[2-(Diethylamino)cyclohepta-2,4,6-trien-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 11255506
5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 101705608
1,3-Diethyl-5-[2-[1-(3-methylbutyl)-4-pyridinylidene]ethylidene]-1,3-diazinane-2,4,6-trione
CID 139246258
5-((2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dien-1-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 163358790
1,3-Dimethyl-5-(3-methylbut-2-enylidene)-1,3-diazinane-2,4,6-trione
CID 13895079
Baecgssbwrjygd-mfdvaspdsa-
CID 21633480
5-Cyclohepta-2,4,6-trien-1-ylidene-1,3-diethyl-1,3-diazinane-2,4,6-trione
CID 101842819
5-[3-(Dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 319881
1,3-Diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15799910
1,3-Diethyl-5-(1-methyl-4-pyridinylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 20727589

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 6392556) is 5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CCN(/C=C/C=C1C(=O)N(C)C(=O)N(C)C1=O)CC.
What is the InChIKey of 5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ALLKHLHKYNHEHU-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-5-16(6-2)9-7-8-10-11(17)14(3)13(19)15(4)12(10)18/h7-9H,5-6H2,1-4H3/b9-7+.
What are the key properties of 5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 265.31 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 6392556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).