5-but-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione

C10H12N2O3 — CID 123410516

IUPAC5-but-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione
SMILESCC=CC=C1C(=O)NC(=O)N(CC)C1=O
InChIInChI=1S/C10H12N2O3/c1-3-5-6-7-8(13)11-10(15)12(4-2)9(7)14/h3,5-6H,4H2,1-2H3,(H,11,13,15)
InChIKeyWINMUGYRTWPEJA-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.59
Rot. Bonds2

About 5-but-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione

5-but-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione (PubChem CID 123410516) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-but-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-but-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione
PubChem CID123410516
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name5-but-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione
SMILESCC=CC=C1C(=O)NC(=O)N(CC)C1=O
InChIInChI=1S/C10H12N2O3/c1-3-5-6-7-8(13)11-10(15)12(4-2)9(7)14/h3,5-6H,4H2,1-2H3,(H,11,13,15)
InChIKeyWINMUGYRTWPEJA-UHFFFAOYSA-N
XLogP0.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5E)-5-[(2E,4Z)-4-ethenyl-5-fluorohepta-2,4,6-trienylidene]-1-ethyl-1,3-diazinane-2,4,6-trione
CID 144530682
5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6282221
5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6392556
(5Z)-5-[(2Z)-2-[(E)-3-(diethylamino)prop-1-enyl]penta-2,4-dienylidene]-1-methyl-1,3-diazinane-2,4,6-trione
CID 2393305
5-Methylidene-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4-dione
CID 10560208
1,3-Dimethyl-5-(3-methylbut-2-enylidene)-1,3-diazinane-2,4,6-trione
CID 13895079
(5Z)-1-methyl-5-(3-methylbut-2-enylidene)-1,3-diazinane-2,4,6-trione
CID 13895080
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-Methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
CID 19904711
5-Ethylidene-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 20693559

Frequently Asked Questions

What is the IUPAC name of 5-but-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-but-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione (CID 123410516) is 5-but-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-but-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-but-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione is CC=CC=C1C(=O)NC(=O)N(CC)C1=O.
What is the InChIKey of 5-but-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is WINMUGYRTWPEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-3-5-6-7-8(13)11-10(15)12(4-2)9(7)14/h3,5-6H,4H2,1-2H3,(H,11,13,15).
What are the key properties of 5-but-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione?
5-but-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 208.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 123410516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).