sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-3-ide-2,4-dione

C9H14NNaO3 — CID 23713041

IUPACsodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-3-ide-2,4-dione
SMILESCC(C)(C)CC1(C)OC(=O)[N-]C1=O.[Na+]
InChIInChI=1S/C9H15NO3.Na/c1-8(2,3)5-9(4)6(11)10-7(12)13-9;/h5H2,1-4H3,(H,10,11,12);/q;+1/p-1
InChIKeyKDIPZICLLKEZHS-UHFFFAOYSA-M
MW207.20 g/mol
LogP-0.76
Rot. Bonds1

About sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-3-ide-2,4-dione

sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-3-ide-2,4-dione (PubChem CID 23713041) has the molecular formula C9H14NNaO3 and a molecular weight of 207.20 g/mol. Its IUPAC name is sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-3-ide-2,4-dione.

Molecular Properties

Compound Namesodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-3-ide-2,4-dione
PubChem CID23713041
Molecular FormulaC9H14NNaO3
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC Namesodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-3-ide-2,4-dione
SMILESCC(C)(C)CC1(C)OC(=O)[N-]C1=O.[Na+]
InChIInChI=1S/C9H15NO3.Na/c1-8(2,3)5-9(4)6(11)10-7(12)13-9;/h5H2,1-4H3,(H,10,11,12);/q;+1/p-1
InChIKeyKDIPZICLLKEZHS-UHFFFAOYSA-M
XLogP-0.76
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-3-ide-2,4-dione?
The IUPAC name of sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-3-ide-2,4-dione (CID 23713041) is sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-3-ide-2,4-dione.
What is the SMILES notation for sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-3-ide-2,4-dione?
The canonical SMILES for sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-3-ide-2,4-dione is CC(C)(C)CC1(C)OC(=O)[N-]C1=O.[Na+].
What is the InChIKey of sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-3-ide-2,4-dione?
The InChIKey is KDIPZICLLKEZHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15NO3.Na/c1-8(2,3)5-9(4)6(11)10-7(12)13-9;/h5H2,1-4H3,(H,10,11,12);/q;+1/p-1.
What are the key properties of sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-3-ide-2,4-dione?
sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-3-ide-2,4-dione has a molecular weight of 207.20 g/mol, XLogP of -0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-(2,2-dimethylpropyl)-5-methyl-1,3-oxazolidin-3-ide-2,4-dione is sourced from PubChem (CID 23713041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).