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

C10H14N2O3 — CID 3155800

IUPAC1-cyclohexyl-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(C2CCCCC2)C(=O)N1
InChIInChI=1S/C10H14N2O3/c13-8-6-9(14)12(10(15)11-8)7-4-2-1-3-5-7/h7H,1-6H2,(H,11,13,15)
InChIKeyZTUIKEVPLFQEJR-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.79
Rot. Bonds1

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

1-cyclohexyl-1,3-diazinane-2,4,6-trione (PubChem CID 3155800) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-cyclohexyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-1,3-diazinane-2,4,6-trione
PubChem CID3155800
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-cyclohexyl-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(C2CCCCC2)C(=O)N1
InChIInChI=1S/C10H14N2O3/c13-8-6-9(14)12(10(15)11-8)7-4-2-1-3-5-7/h7H,1-6H2,(H,11,13,15)
InChIKeyZTUIKEVPLFQEJR-UHFFFAOYSA-N
XLogP0.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.79
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-cyclohexyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-1,3-diazinane-2,4,6-trione (CID 3155800) is 1-cyclohexyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(C2CCCCC2)C(=O)N1.
What is the InChIKey of 1-cyclohexyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ZTUIKEVPLFQEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-8-6-9(14)12(10(15)11-8)7-4-2-1-3-5-7/h7H,1-6H2,(H,11,13,15).
What are the key properties of 1-cyclohexyl-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-1,3-diazinane-2,4,6-trione has a molecular weight of 210.23 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3155800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).