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

C15H21N3O3 — CID 140667975

IUPAC5-[(E)-3-[2-(dimethylamino)cyclohexyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione
SMILESCN(C)C1CCCCC1/C=C/C=C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C15H21N3O3/c1-18(2)12-9-4-3-6-10(12)7-5-8-11-13(19)16-15(21)17-14(11)20/h5,7-8,10,12H,3-4,6,9H2,1-2H3,(H2,16,17,19,20,21)/b7-5+
InChIKeyUDMYQEDWBIUPJS-FNORWQNLSA-N
MW291.35 g/mol
LogP0.96
Rot. Bonds3

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

5-[(E)-3-[2-(dimethylamino)cyclohexyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 140667975) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[(E)-3-[2-(dimethylamino)cyclohexyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-3-[2-(dimethylamino)cyclohexyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione
PubChem CID140667975
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-[(E)-3-[2-(dimethylamino)cyclohexyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione
SMILESCN(C)C1CCCCC1/C=C/C=C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C15H21N3O3/c1-18(2)12-9-4-3-6-10(12)7-5-8-11-13(19)16-15(21)17-14(11)20/h5,7-8,10,12H,3-4,6,9H2,1-2H3,(H2,16,17,19,20,21)/b7-5+
InChIKeyUDMYQEDWBIUPJS-FNORWQNLSA-N
XLogP0.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.96
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-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 140667952
5-[(2E,4Z)-5-(2,4,6-trioxo-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione
CID 54602299
trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde
CID 59356674
5-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 89063839
5-[3-(dimethylamino)-2,4-dioxocyclobutylidene]-1,3-diazinane-2,4,6-trione
CID 90863942
5-[(4-fluorocyclohexyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 140667915
5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2263663
5-(piperidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 21234974
5-[(1-cyclopentylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 50854111
5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione
CID 12508586
trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine
CID 58431838
5-[(E)-3-(2-chlorophenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 71509781

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-[2-(dimethylamino)cyclohexyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-3-[2-(dimethylamino)cyclohexyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione (CID 140667975) is 5-[(E)-3-[2-(dimethylamino)cyclohexyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-3-[2-(dimethylamino)cyclohexyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-3-[2-(dimethylamino)cyclohexyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione is CN(C)C1CCCCC1/C=C/C=C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[(E)-3-[2-(dimethylamino)cyclohexyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is UDMYQEDWBIUPJS-FNORWQNLSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18(2)12-9-4-3-6-10(12)7-5-8-11-13(19)16-15(21)17-14(11)20/h5,7-8,10,12H,3-4,6,9H2,1-2H3,(H2,16,17,19,20,21)/b7-5+.
What are the key properties of 5-[(E)-3-[2-(dimethylamino)cyclohexyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione?
5-[(E)-3-[2-(dimethylamino)cyclohexyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 291.35 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-[2-(dimethylamino)cyclohexyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 140667975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).