1-(1-methoxyethyl)-1,3-diazinane-2,4,6-trione

C7H10N2O4 — CID 18458024

IUPAC1-(1-methoxyethyl)-1,3-diazinane-2,4,6-trione
SMILESCOC(C)N1C(=O)CC(=O)NC1=O
InChIInChI=1S/C7H10N2O4/c1-4(13-2)9-6(11)3-5(10)8-7(9)12/h4H,3H2,1-2H3,(H,8,10,12)
InChIKeyGDLONXRAZOHSBZ-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.55
Rot. Bonds2

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

1-(1-methoxyethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 18458024) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 1-(1-methoxyethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(1-methoxyethyl)-1,3-diazinane-2,4,6-trione
PubChem CID18458024
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name1-(1-methoxyethyl)-1,3-diazinane-2,4,6-trione
SMILESCOC(C)N1C(=O)CC(=O)NC1=O
InChIInChI=1S/C7H10N2O4/c1-4(13-2)9-6(11)3-5(10)8-7(9)12/h4H,3H2,1-2H3,(H,8,10,12)
InChIKeyGDLONXRAZOHSBZ-UHFFFAOYSA-N
XLogP-0.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
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 1-(1-methoxyethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(1-methoxyethyl)-1,3-diazinane-2,4,6-trione (CID 18458024) is 1-(1-methoxyethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(1-methoxyethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(1-methoxyethyl)-1,3-diazinane-2,4,6-trione is COC(C)N1C(=O)CC(=O)NC1=O.
What is the InChIKey of 1-(1-methoxyethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is GDLONXRAZOHSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-4(13-2)9-6(11)3-5(10)8-7(9)12/h4H,3H2,1-2H3,(H,8,10,12).
What are the key properties of 1-(1-methoxyethyl)-1,3-diazinane-2,4,6-trione?
1-(1-methoxyethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 186.17 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 18458024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).