5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione

C12H16N2O3 — CID 5838

💊View drug profile → cyclobarbital
IUPAC5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17)
InChIKeyWTYGAUXICFETTC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.25
Rot. Bonds2

About 5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione

5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione (PubChem CID 5838) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
PubChem CID5838
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17)
InChIKeyWTYGAUXICFETTC-UHFFFAOYSA-N
XLogP1.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.25
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'}

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Related Compounds

Secobarbital
CID 5193
Hexobarbital
CID 3608
Heptabarbital
CID 10518
Vinbarbital
CID 5284636
Cyclopentobarbital
CID 6454
Reposal
CID 19254
5-(2-Cyclohexen-1-yl)dihydro-5-(2-propen-1-yl)-2-thioxo-4,6(1H,5H)-pyrimidinedione
CID 3032306
5-((1R)-1-Methylbutyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 31143
Hexobarbital Sodium
CID 23664950
5-((1S)-1-Methylbutyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 30019
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(2-propenyl)-
CID 48522
5-(2-Cyclohexylideneethyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 30964

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione (CID 5838) is 5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione is CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is WTYGAUXICFETTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione?
5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 236.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 5838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).