5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione

C15H15FN2O3 — CID 106185830

IUPAC5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)=CCN1C(=O)NC(=O)C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C15H15FN2O3/c1-9(2)7-8-18-14(20)12(13(19)17-15(18)21)10-3-5-11(16)6-4-10/h3-7,12H,8H2,1-2H3,(H,17,19,21)
InChIKeySUFOFHSUVSTUCP-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.95
Rot. Bonds3

About 5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione

5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione (PubChem CID 106185830) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
PubChem CID106185830
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)=CCN1C(=O)NC(=O)C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C15H15FN2O3/c1-9(2)7-8-18-14(20)12(13(19)17-15(18)21)10-3-5-11(16)6-4-10/h3-7,12H,8H2,1-2H3,(H,17,19,21)
InChIKeySUFOFHSUVSTUCP-UHFFFAOYSA-N
XLogP1.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.95
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'}

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Related Compounds

5-(4-fluorophenyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 112599479
1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 115946042
methyl 2-[5-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
CID 115945837
1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 115948037
5-(4-methylphenyl)-1-(3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948308
5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione
CID 102702116
5-(4-fluorophenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 122367157
1-methyl-5-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 112598766
sodium 5-phenyl-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 54600111
5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 170447672
5-methyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 67961738
2-[5-fluoro-3-(4-fluorophenyl)-2-oxo-3H-indol-1-yl]acetamide
CID 178005107

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione (CID 106185830) is 5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione is CC(C)=CCN1C(=O)NC(=O)C(c2ccc(F)cc2)C1=O.
What is the InChIKey of 5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is SUFOFHSUVSTUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9(2)7-8-18-14(20)12(13(19)17-15(18)21)10-3-5-11(16)6-4-10/h3-7,12H,8H2,1-2H3,(H,17,19,21).
What are the key properties of 5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione?
5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 290.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 106185830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).