3,5,5-trimethyl-1,3-oxazolidine-2,4-dione

C6H9NO3 — CID 5576

💊View drug profile → trimethadione
IUPAC3,5,5-trimethyl-1,3-oxazolidine-2,4-dione
SMILESCN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3
InChIKeyIRYJRGCIQBGHIV-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.37
Rot. Bonds

About 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione

3,5,5-trimethyl-1,3-oxazolidine-2,4-dione (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 Name3,5,5-trimethyl-1,3-oxazolidine-2,4-dione
PubChem CID5576
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3,5,5-trimethyl-1,3-oxazolidine-2,4-dione
SMILESCN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3
InChIKeyIRYJRGCIQBGHIV-UHFFFAOYSA-N
XLogP0.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Paramethadione
CID 8280
Ethadione
CID 10630
2,4-Oxazolidinedione, 5,5-dimethyl-, sodium salt
CID 15541849
3-Tert-butyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 12517715
3,5-Dimethyl-1,3-oxazolidine-2,4-dione
CID 185896
2,4-Oxazolidinedione, 3-(hydroxymethyl)-5,5-dimethyl-
CID 321498
(5S)-5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 51380896
Ethyl-methyl-oxazolidinedione
CID 13892513
5,5-Diethyl-3-methyl-1,3-oxazolidine-2,4-dione
CID 59834711
5,5-Dimethyl-3-propionyloxazolidin-2-one
CID 10535181
2,4-Dioxo-N,N,N,5,5-pentamethyl-3-oxazolidinebutanaminium iodide
CID 11971969
3-Ethyl-5-methyl-1,3-oxazolidine-2,4-dione
CID 13892512

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione (CID 5576) is 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione is CN1C(=O)OC(C)(C)C1=O.
What is the InChIKey of 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione?
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 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione?
3,5,5-trimethyl-1,3-oxazolidine-2,4-dione 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 3,5,5-trimethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 5576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).