Trimethadione

C₆H₉NO₃ — CID 5576

About Trimethadione

Trimethadione (PubChem CID 5576) has the molecular formula C₆H₉NO₃ and a molecular weight of 143.14 g/mol. Its IUPAC name is 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: Trimethadione
• PubChem CID: 5576
• Molecular Formula: C₆H₉NO₃
• Molecular Weight: 143.14 g/mol
• Exact Mass: 143.06
• IUPAC Name: 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione
• SMILES: CN1C(=O)OC(C)(C)C1=O
• InChI: InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3
• InChIKey: IRYJRGCIQBGHIV-UHFFFAOYSA-N
• XLogP: 0.37
• TPSA: 46.61 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	143.14
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Trimethadione?

The IUPAC name of Trimethadione (CID 5576) is 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione.

What is the SMILES notation for Trimethadione?

The canonical SMILES for Trimethadione is CN1C(=O)OC(C)(C)C1=O.

What is the InChIKey of Trimethadione?

The InChIKey is IRYJRGCIQBGHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3.

What are the key properties of Trimethadione?

Trimethadione has a molecular weight of 143.14 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Trimethadione is sourced from PubChem (CID 5576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5576 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2751 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.