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

C17H19N3O3 — CID 78092070

IUPAC5-[3-[2-(dimethylamino)phenyl]prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)NC(=O)C(=CC=Cc2ccccc2N(C)C)C1=O
InChIInChI=1S/C17H19N3O3/c1-4-20-16(22)13(15(21)18-17(20)23)10-7-9-12-8-5-6-11-14(12)19(2)3/h5-11H,4H2,1-3H3,(H,18,21,23)
InChIKeyUDUIQBUDUPDRNB-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.79
Rot. Bonds4

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

5-[3-[2-(dimethylamino)phenyl]prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4,6-trione (PubChem CID 78092070) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[3-[2-(dimethylamino)phenyl]prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[3-[2-(dimethylamino)phenyl]prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4,6-trione
PubChem CID78092070
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-[3-[2-(dimethylamino)phenyl]prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)NC(=O)C(=CC=Cc2ccccc2N(C)C)C1=O
InChIInChI=1S/C17H19N3O3/c1-4-20-16(22)13(15(21)18-17(20)23)10-7-9-12-8-5-6-11-14(12)19(2)3/h5-11H,4H2,1-3H3,(H,18,21,23)
InChIKeyUDUIQBUDUPDRNB-UHFFFAOYSA-N
XLogP1.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
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

1-ethyl-5-[3-(4-methylphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 78092131
(5E)-1-ethyl-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2180156
(5E)-1-ethyl-5-[(E)-3-(3-fluorophenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione;5-[(E)-3-(3-fluorophenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 144530673
(5Z)-1-amino-5-[(E)-3-(2-fluorophenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 89412284
1,3-diethyl-5-[3-(2-methylphenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 78092278
1-butyl-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 4264941
(5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione
CID 2291421
(5E)-1-ethyl-5-[(E)-3-(4-fluorophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 71510611
3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 131856720
(5Z)-3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 45095770
(5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126233258
(5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-naphthalen-1-yl-1,3-diazinane-2,4,6-trione
CID 59072178

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(dimethylamino)phenyl]prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[3-[2-(dimethylamino)phenyl]prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4,6-trione (CID 78092070) is 5-[3-[2-(dimethylamino)phenyl]prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[3-[2-(dimethylamino)phenyl]prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[3-[2-(dimethylamino)phenyl]prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4,6-trione is CCN1C(=O)NC(=O)C(=CC=Cc2ccccc2N(C)C)C1=O.
What is the InChIKey of 5-[3-[2-(dimethylamino)phenyl]prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is UDUIQBUDUPDRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-4-20-16(22)13(15(21)18-17(20)23)10-7-9-12-8-5-6-11-14(12)19(2)3/h5-11H,4H2,1-3H3,(H,18,21,23).
What are the key properties of 5-[3-[2-(dimethylamino)phenyl]prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4,6-trione?
5-[3-[2-(dimethylamino)phenyl]prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 313.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(dimethylamino)phenyl]prop-2-enylidene]-1-ethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 78092070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).