5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione

C11H16N2O4 — CID 2749605

IUPAC5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione
SMILESCOC1CCC(C2C(=O)NC(=O)NC2=O)CC1
InChIInChI=1S/C11H16N2O4/c1-17-7-4-2-6(3-5-7)8-9(14)12-11(16)13-10(8)15/h6-8H,2-5H2,1H3,(H2,12,13,14,15,16)
InChIKeyXKKVAPSBPOOHBZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.17
Rot. Bonds2

About 5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione

5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione (PubChem CID 2749605) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione
PubChem CID2749605
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione
SMILESCOC1CCC(C2C(=O)NC(=O)NC2=O)CC1
InChIInChI=1S/C11H16N2O4/c1-17-7-4-2-6(3-5-7)8-9(14)12-11(16)13-10(8)15/h6-8H,2-5H2,1H3,(H2,12,13,14,15,16)
InChIKeyXKKVAPSBPOOHBZ-UHFFFAOYSA-N
XLogP0.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione (CID 2749605) is 5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione is COC1CCC(C2C(=O)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is XKKVAPSBPOOHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-17-7-4-2-6(3-5-7)8-9(14)12-11(16)13-10(8)15/h6-8H,2-5H2,1H3,(H2,12,13,14,15,16).
What are the key properties of 5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione?
5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 240.26 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxycyclohexyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2749605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).