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

C11H15N3O3 — CID 6282221

IUPAC5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN(C)/C=C/C=C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C11H15N3O3/c1-12(2)7-5-6-8-9(15)13(3)11(17)14(4)10(8)16/h5-7H,1-4H3/b7-5+
InChIKeyJZZVVWMJXKRVLC-FNORWQNLSA-N
MW237.26 g/mol
LogP0.04
Rot. Bonds2

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

5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 6282221) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID6282221
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN(C)/C=C/C=C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C11H15N3O3/c1-12(2)7-5-6-8-9(15)13(3)11(17)14(4)10(8)16/h5-7H,1-4H3/b7-5+
InChIKeyJZZVVWMJXKRVLC-FNORWQNLSA-N
XLogP0.04
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.04
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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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 6282221) is 5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN(C)/C=C/C=C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is JZZVVWMJXKRVLC-FNORWQNLSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-12(2)7-5-6-8-9(15)13(3)11(17)14(4)10(8)16/h5-7H,1-4H3/b7-5+.
What are the key properties of 5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 237.26 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 6282221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).