sodium 5,5-diethyl-1,3-oxazolidin-3-ide-2,4-dione

C7H10NNaO3 — CID 23713050

IUPACsodium 5,5-diethyl-1,3-oxazolidin-3-ide-2,4-dione
SMILESCCC1(CC)OC(=O)[N-]C1=O.[Na+]
InChIInChI=1S/C7H11NO3.Na/c1-3-7(4-2)5(9)8-6(10)11-7;/h3-4H2,1-2H3,(H,8,9,10);/q;+1/p-1
InChIKeyUSQIIQRZAIXMLK-UHFFFAOYSA-M
MW179.15 g/mol
LogP-1.40
Rot. Bonds2

About sodium 5,5-diethyl-1,3-oxazolidin-3-ide-2,4-dione

sodium 5,5-diethyl-1,3-oxazolidin-3-ide-2,4-dione (PubChem CID 23713050) has the molecular formula C7H10NNaO3 and a molecular weight of 179.15 g/mol. Its IUPAC name is sodium 5,5-diethyl-1,3-oxazolidin-3-ide-2,4-dione.

Molecular Properties

Compound Namesodium 5,5-diethyl-1,3-oxazolidin-3-ide-2,4-dione
PubChem CID23713050
Molecular FormulaC7H10NNaO3
Molecular Weight179.15 g/mol
Exact Mass179.06
IUPAC Namesodium 5,5-diethyl-1,3-oxazolidin-3-ide-2,4-dione
SMILESCCC1(CC)OC(=O)[N-]C1=O.[Na+]
InChIInChI=1S/C7H11NO3.Na/c1-3-7(4-2)5(9)8-6(10)11-7;/h3-4H2,1-2H3,(H,8,9,10);/q;+1/p-1
InChIKeyUSQIIQRZAIXMLK-UHFFFAOYSA-M
XLogP-1.40
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 5,5-diethyl-1,3-oxazolidin-3-ide-2,4-dione?
The IUPAC name of sodium 5,5-diethyl-1,3-oxazolidin-3-ide-2,4-dione (CID 23713050) is sodium 5,5-diethyl-1,3-oxazolidin-3-ide-2,4-dione.
What is the SMILES notation for sodium 5,5-diethyl-1,3-oxazolidin-3-ide-2,4-dione?
The canonical SMILES for sodium 5,5-diethyl-1,3-oxazolidin-3-ide-2,4-dione is CCC1(CC)OC(=O)[N-]C1=O.[Na+].
What is the InChIKey of sodium 5,5-diethyl-1,3-oxazolidin-3-ide-2,4-dione?
The InChIKey is USQIIQRZAIXMLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11NO3.Na/c1-3-7(4-2)5(9)8-6(10)11-7;/h3-4H2,1-2H3,(H,8,9,10);/q;+1/p-1.
What are the key properties of sodium 5,5-diethyl-1,3-oxazolidin-3-ide-2,4-dione?
sodium 5,5-diethyl-1,3-oxazolidin-3-ide-2,4-dione has a molecular weight of 179.15 g/mol, XLogP of -1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5,5-diethyl-1,3-oxazolidin-3-ide-2,4-dione is sourced from PubChem (CID 23713050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).