1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione

C13H14N2O3 — CID 2267094

IUPAC1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)c1ccc(N2C(=O)CC(=O)NC2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-8(2)9-3-5-10(6-4-9)15-12(17)7-11(16)14-13(15)18/h3-6,8H,7H2,1-2H3,(H,14,16,18)
InChIKeyIOKZEPVYTVBVRT-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.78
Rot. Bonds2

About 1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione

1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 2267094) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID2267094
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)c1ccc(N2C(=O)CC(=O)NC2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-8(2)9-3-5-10(6-4-9)15-12(17)7-11(16)14-13(15)18/h3-6,8H,7H2,1-2H3,(H,14,16,18)
InChIKeyIOKZEPVYTVBVRT-UHFFFAOYSA-N
XLogP1.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione (CID 2267094) is 1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione is CC(C)c1ccc(N2C(=O)CC(=O)NC2=O)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is IOKZEPVYTVBVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8(2)9-3-5-10(6-4-9)15-12(17)7-11(16)14-13(15)18/h3-6,8H,7H2,1-2H3,(H,14,16,18).
What are the key properties of 1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione?
1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 246.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2267094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).