sodium 5,5-diethyl-1,3-oxazolidine-2,4-dione

C7H11NNaO3+ — CID 21119564

IUPACsodium 5,5-diethyl-1,3-oxazolidine-2,4-dione
SMILESCCC1(CC)OC(=O)NC1=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
InChIKeyUSQIIQRZAIXMLK-UHFFFAOYSA-N
MW180.16 g/mol
LogP-2.18
Rot. Bonds2

About sodium 5,5-diethyl-1,3-oxazolidine-2,4-dione

sodium 5,5-diethyl-1,3-oxazolidine-2,4-dione (PubChem CID 21119564) has the molecular formula C7H11NNaO3+ and a molecular weight of 180.16 g/mol. Its IUPAC name is sodium 5,5-diethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Namesodium 5,5-diethyl-1,3-oxazolidine-2,4-dione
PubChem CID21119564
Molecular FormulaC7H11NNaO3+
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Namesodium 5,5-diethyl-1,3-oxazolidine-2,4-dione
SMILESCCC1(CC)OC(=O)NC1=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
InChIKeyUSQIIQRZAIXMLK-UHFFFAOYSA-N
XLogP-2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-2.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 5,5-diethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of sodium 5,5-diethyl-1,3-oxazolidine-2,4-dione (CID 21119564) is sodium 5,5-diethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for sodium 5,5-diethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for sodium 5,5-diethyl-1,3-oxazolidine-2,4-dione is CCC1(CC)OC(=O)NC1=O.[Na+].
What is the InChIKey of sodium 5,5-diethyl-1,3-oxazolidine-2,4-dione?
The InChIKey is USQIIQRZAIXMLK-UHFFFAOYSA-N. 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.
What are the key properties of sodium 5,5-diethyl-1,3-oxazolidine-2,4-dione?
sodium 5,5-diethyl-1,3-oxazolidine-2,4-dione has a molecular weight of 180.16 g/mol, XLogP of -2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5,5-diethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 21119564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).