1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione

C13H18N2O3 — CID 112601136

IUPAC1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)NC(=O)N(C2CC=CCC2)C1=O
InChIInChI=1S/C13H18N2O3/c1-8(2)10-11(16)14-13(18)15(12(10)17)9-6-4-3-5-7-9/h3-4,8-10H,5-7H2,1-2H3,(H,14,16,18)
InChIKeyQLUAYUCUKUBJNJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.45
Rot. Bonds2

About 1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione

1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 112601136) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID112601136
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)NC(=O)N(C2CC=CCC2)C1=O
InChIInChI=1S/C13H18N2O3/c1-8(2)10-11(16)14-13(18)15(12(10)17)9-6-4-3-5-7-9/h3-4,8-10H,5-7H2,1-2H3,(H,14,16,18)
InChIKeyQLUAYUCUKUBJNJ-UHFFFAOYSA-N
XLogP1.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.45
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

1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112600409
3-cyclohex-3-en-1-ylimidazolidine-2,4-dione
CID 103936459
2-cyclohex-3-en-1-ylisoindole-1,3-dione
CID 67304537
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115948061
1-cyclohex-3-en-1-yl-2,3-dimethylpiperidin-4-one
CID 79406491
1-[(5-oxopyrrolidin-2-yl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112601050
1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112599235
1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112599321
5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione
CID 112601168
1-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115945917
1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115948244
1-cyclohex-3-en-1-yl-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 22984671

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 112601136) is 1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is CC(C)C1C(=O)NC(=O)N(C2CC=CCC2)C1=O.
What is the InChIKey of 1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is QLUAYUCUKUBJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8(2)10-11(16)14-13(18)15(12(10)17)9-6-4-3-5-7-9/h3-4,8-10H,5-7H2,1-2H3,(H,14,16,18).
What are the key properties of 1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 250.30 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112601136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).