5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

C11H16N2O3 — CID 24186

IUPAC5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)C(CC)(CC)C1=O
InChIInChI=1S/C11H16N2O3/c1-4-7-13-9(15)11(5-2,6-3)8(14)12-10(13)16/h4H,1,5-7H2,2-3H3,(H,12,14,16)
InChIKeyIGIRIITWQIFRAW-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.06
Rot. Bonds4

About 5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 24186) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID24186
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)C(CC)(CC)C1=O
InChIInChI=1S/C11H16N2O3/c1-4-7-13-9(15)11(5-2,6-3)8(14)12-10(13)16/h4H,1,5-7H2,2-3H3,(H,12,14,16)
InChIKeyIGIRIITWQIFRAW-UHFFFAOYSA-N
XLogP1.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 24186) is 5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCN1C(=O)NC(=O)C(CC)(CC)C1=O.
What is the InChIKey of 5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is IGIRIITWQIFRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-7-13-9(15)11(5-2,6-3)8(14)12-10(13)16/h4H,1,5-7H2,2-3H3,(H,12,14,16).
What are the key properties of 5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 224.26 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 24186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).