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

C15H19FN2O3 — CID 140667914

IUPAC5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=C/C=C/C2CCCCC2F)C(=O)N(C)C1=O
InChIInChI=1S/C15H19FN2O3/c1-17-13(19)11(14(20)18(2)15(17)21)8-5-7-10-6-3-4-9-12(10)16/h5,7-8,10,12H,3-4,6,9H2,1-2H3/b7-5+
InChIKeyGASUEWOGWBBJQJ-FNORWQNLSA-N
MW294.33 g/mol
LogP2.05
Rot. Bonds2

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

5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 140667914) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID140667914
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=C/C=C/C2CCCCC2F)C(=O)N(C)C1=O
InChIInChI=1S/C15H19FN2O3/c1-17-13(19)11(14(20)18(2)15(17)21)8-5-7-10-6-3-4-9-12(10)16/h5,7-8,10,12H,3-4,6,9H2,1-2H3/b7-5+
InChIKeyGASUEWOGWBBJQJ-FNORWQNLSA-N
XLogP2.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
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'}

Analyze 5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-dimethyl-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-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 140667914) is 5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(=C/C=C/C2CCCCC2F)C(=O)N(C)C1=O.
What is the InChIKey of 5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is GASUEWOGWBBJQJ-FNORWQNLSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-17-13(19)11(14(20)18(2)15(17)21)8-5-7-10-6-3-4-9-12(10)16/h5,7-8,10,12H,3-4,6,9H2,1-2H3/b7-5+.
What are the key properties of 5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 294.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-(2-fluorocyclohexyl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 140667914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).