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

C12H16N2O3 — CID 3608

💊View drug profile → hexobarbital
IUPAC5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O
InChIInChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)
InChIKeyUYXAWHWODHRRMR-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.20
Rot. Bonds1

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

5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 3608) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID3608
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O
InChIInChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)
InChIKeyUYXAWHWODHRRMR-UHFFFAOYSA-N
XLogP1.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.20
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

Cyclobarbital
CID 5838
Heptabarbital
CID 10518
Reposal
CID 19254
Hexobarbital Sodium
CID 23664950
3'-Ketohexobarbital
CID 160461
8,9-Dimethyl-2,4-diazaspiro[5.5]undec-8-ene-1,3,5-trione
CID 274683
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-, sodium salt (1:1)
CID 24197253
(S)-Hexobarbital
CID 7036944
5-(Cyclohexen-1-yl)-1,5-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033345
5-(Cyclohex-1-en-1-yl)-5-ethyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione
CID 3033466
Barbituric acid, 5-butyl-5-(3-methyl-2-butenyl)-
CID 49202
Barbituric acid, 5-butyl-5-(1-propenyl)-
CID 5381675

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione (CID 3608) is 5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O.
What is the InChIKey of 5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is UYXAWHWODHRRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17).
What are the key properties of 5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione?
5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 236.27 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).