4-ethyl-3-methyl-1,3-oxazolidine-2,5-dione

C6H9NO3 — CID 20586619

IUPAC4-ethyl-3-methyl-1,3-oxazolidine-2,5-dione
SMILESCCC1C(=O)OC(=O)N1C
InChIInChI=1S/C6H9NO3/c1-3-4-5(8)10-6(9)7(4)2/h4H,3H2,1-2H3
InChIKeyGGDJJQMZQHQPGM-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.37
Rot. Bonds1

About 4-ethyl-3-methyl-1,3-oxazolidine-2,5-dione

4-ethyl-3-methyl-1,3-oxazolidine-2,5-dione (PubChem CID 20586619) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 4-ethyl-3-methyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4-ethyl-3-methyl-1,3-oxazolidine-2,5-dione
PubChem CID20586619
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name4-ethyl-3-methyl-1,3-oxazolidine-2,5-dione
SMILESCCC1C(=O)OC(=O)N1C
InChIInChI=1S/C6H9NO3/c1-3-4-5(8)10-6(9)7(4)2/h4H,3H2,1-2H3
InChIKeyGGDJJQMZQHQPGM-UHFFFAOYSA-N
XLogP0.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

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 4-ethyl-3-methyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of 4-ethyl-3-methyl-1,3-oxazolidine-2,5-dione (CID 20586619) is 4-ethyl-3-methyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4-ethyl-3-methyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4-ethyl-3-methyl-1,3-oxazolidine-2,5-dione is CCC1C(=O)OC(=O)N1C.
What is the InChIKey of 4-ethyl-3-methyl-1,3-oxazolidine-2,5-dione?
The InChIKey is GGDJJQMZQHQPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-3-4-5(8)10-6(9)7(4)2/h4H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-methyl-1,3-oxazolidine-2,5-dione?
4-ethyl-3-methyl-1,3-oxazolidine-2,5-dione has a molecular weight of 143.14 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 20586619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).