1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione

C11H16N2O3 — CID 13267

IUPAC1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione
SMILESCC1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C11H16N2O3/c1-7-9(14)12-11(16)13(10(7)15)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,12,14,16)
InChIKeyNOMGRDIADBNCNU-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.03
Rot. Bonds1

About 1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione

1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione (PubChem CID 13267) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione
PubChem CID13267
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione
SMILESCC1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C11H16N2O3/c1-7-9(14)12-11(16)13(10(7)15)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,12,14,16)
InChIKeyNOMGRDIADBNCNU-UHFFFAOYSA-N
XLogP1.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione (CID 13267) is 1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione is CC1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione?
The InChIKey is NOMGRDIADBNCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-9(14)12-11(16)13(10(7)15)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,12,14,16).
What are the key properties of 1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione has a molecular weight of 224.26 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 13267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).