ethane;5-ethyl-1,3-diazinane-2,4,6-trione

C10H20N2O3 — CID 142836832

IUPACethane;5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCC.CC.CCC1C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H8N2O3.2C2H6/c1-2-3-4(9)7-6(11)8-5(3)10;2*1-2/h3H,2H2,1H3,(H2,7,8,9,10,11);2*1-2H3
InChIKeyAIFUMHMCCSVJSY-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.43
Rot. Bonds1

About ethane;5-ethyl-1,3-diazinane-2,4,6-trione

ethane;5-ethyl-1,3-diazinane-2,4,6-trione (PubChem CID 142836832) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethane;5-ethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Nameethane;5-ethyl-1,3-diazinane-2,4,6-trione
PubChem CID142836832
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethane;5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCC.CC.CCC1C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H8N2O3.2C2H6/c1-2-3-4(9)7-6(11)8-5(3)10;2*1-2/h3H,2H2,1H3,(H2,7,8,9,10,11);2*1-2H3
InChIKeyAIFUMHMCCSVJSY-UHFFFAOYSA-N
XLogP1.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
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 ethane;5-ethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of ethane;5-ethyl-1,3-diazinane-2,4,6-trione (CID 142836832) is ethane;5-ethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for ethane;5-ethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for ethane;5-ethyl-1,3-diazinane-2,4,6-trione is CC.CC.CCC1C(=O)NC(=O)NC1=O.
What is the InChIKey of ethane;5-ethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is AIFUMHMCCSVJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3.2C2H6/c1-2-3-4(9)7-6(11)8-5(3)10;2*1-2/h3H,2H2,1H3,(H2,7,8,9,10,11);2*1-2H3.
What are the key properties of ethane;5-ethyl-1,3-diazinane-2,4,6-trione?
ethane;5-ethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 216.28 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 142836832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).