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

C13H11FN2O3 — CID 19627

IUPAC5-(4-fluorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(c2ccc(F)cc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C13H11FN2O3/c1-2-7-13(8-3-5-9(14)6-4-8)10(17)15-12(19)16-11(13)18/h2-6H,1,7H2,(H2,15,16,17,18,19)
InChIKeyMDIOZGJOBRNKSK-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.01
Rot. Bonds3

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

5-(4-fluorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 19627) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID19627
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name5-(4-fluorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(c2ccc(F)cc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C13H11FN2O3/c1-2-7-13(8-3-5-9(14)6-4-8)10(17)15-12(19)16-11(13)18/h2-6H,1,7H2,(H2,15,16,17,18,19)
InChIKeyMDIOZGJOBRNKSK-UHFFFAOYSA-N
XLogP1.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
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-(4-fluorophenyl)-5-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

Related Compounds

Phenacemide
CID 4753
Primidone
CID 4909
Phenobarbital
CID 4763
Mephobarbital
CID 8271
Pheneturide
CID 72060
Eterobarb
CID 33925
Phenallymal
CID 8274
Phenylmethylbarbituric acid
CID 66160
Acetylpheneturide
CID 1999
5-Ethyl-1,3-dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 12897
5-(4-Biphenylyl)-5-ethylbarbituric acid
CID 2220392
Barbituric acid, 5-hexyl-5-phenyl-
CID 49292

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(4-fluorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 19627) is 5-(4-fluorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(4-fluorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(4-fluorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCC1(c2ccc(F)cc2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(4-fluorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is MDIOZGJOBRNKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-2-7-13(8-3-5-9(14)6-4-8)10(17)15-12(19)16-11(13)18/h2-6H,1,7H2,(H2,15,16,17,18,19).
What are the key properties of 5-(4-fluorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-(4-fluorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 262.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 19627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).