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

C13H12N2O3 — CID 13082

IUPAC1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1C(=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H12N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h2-5,7-8,10H,1,6H2,(H,14,16,18)
InChIKeyMHZWCBPOTIWXCV-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.46
Rot. Bonds3

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

1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 13082) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID13082
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1C(=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H12N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h2-5,7-8,10H,1,6H2,(H,14,16,18)
InChIKeyMHZWCBPOTIWXCV-UHFFFAOYSA-N
XLogP1.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.46
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

Merbarone
CID 4990817
Phetharbital
CID 9650
1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione
CID 2179730
N-((Phenylamino)carbonyl)acetamide
CID 66877
1-Phenyl-1,3-diazinane-2,4-dione
CID 638639
1-(2-Fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2274725
1-Phenyl-3-(1-propionylpiperidin-4-yl)urea
CID 47379737
1-(3-Bromophenyl)-1,3-diazinane-2,4,6-trione
CID 2274691
1-[3-(Trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
CID 5189254
1-(2,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 6917182
1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 262504
1,3-diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2784952

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 13082) is 1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCC1C(=O)NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is MHZWCBPOTIWXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h2-5,7-8,10H,1,6H2,(H,14,16,18).
What are the key properties of 1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 244.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 13082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).