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

C13H11FN2O3 — CID 112599479

IUPAC5-(4-fluorophenyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H11FN2O3/c1-2-7-16-12(18)10(11(17)15-13(16)19)8-3-5-9(14)6-4-8/h2-6,10H,1,7H2,(H,15,17,19)
InChIKeyPGLXYHZQWQSEKA-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.17
Rot. Bonds3

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

5-(4-fluorophenyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 112599479) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID112599479
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name5-(4-fluorophenyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H11FN2O3/c1-2-7-16-12(18)10(11(17)15-13(16)19)8-3-5-9(14)6-4-8/h2-6,10H,1,7H2,(H,15,17,19)
InChIKeyPGLXYHZQWQSEKA-UHFFFAOYSA-N
XLogP1.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.17
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-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
CID 106185830
1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 115946042
5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 170447672
methyl 2-[5-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
CID 115945837
sodium 5-phenyl-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 54600111
5-methyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 67961738
1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 115948037
(5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 7272193
5-(4-methylphenyl)-1-(3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948308
3-(4-fluoroanilino)-1-prop-2-enylpyrrolidine-2,5-dione
CID 6458477
3-phenyl-1-prop-2-enylquinoline-2,4-dione
CID 117066362
5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione
CID 102702116

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(4-fluorophenyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 112599479) is 5-(4-fluorophenyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(4-fluorophenyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(4-fluorophenyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCN1C(=O)NC(=O)C(c2ccc(F)cc2)C1=O.
What is the InChIKey of 5-(4-fluorophenyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is PGLXYHZQWQSEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-2-7-16-12(18)10(11(17)15-13(16)19)8-3-5-9(14)6-4-8/h2-6,10H,1,7H2,(H,15,17,19).
What are the key properties of 5-(4-fluorophenyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-(4-fluorophenyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 262.24 g/mol, XLogP of 1.17, 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-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112599479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).