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

C5H6NNaO3 — CID 15541849

IUPACsodium 5,5-dimethyl-1,3-oxazolidin-3-ide-2,4-dione
SMILESCC1(C)OC(=O)[N-]C1=O.[Na+]
InChIInChI=1S/C5H7NO3.Na/c1-5(2)3(7)6-4(8)9-5;/h1-2H3,(H,6,7,8);/q;+1/p-1
InChIKeyOWGHQPIPPHGSGP-UHFFFAOYSA-M
MW151.10 g/mol
LogP-2.18
Rot. Bonds

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

sodium 5,5-dimethyl-1,3-oxazolidin-3-ide-2,4-dione (PubChem CID 15541849) has the molecular formula C5H6NNaO3 and a molecular weight of 151.10 g/mol. Its IUPAC name is sodium 5,5-dimethyl-1,3-oxazolidin-3-ide-2,4-dione.

Molecular Properties

Compound Namesodium 5,5-dimethyl-1,3-oxazolidin-3-ide-2,4-dione
PubChem CID15541849
Molecular FormulaC5H6NNaO3
Molecular Weight151.10 g/mol
Exact Mass151.02
IUPAC Namesodium 5,5-dimethyl-1,3-oxazolidin-3-ide-2,4-dione
SMILESCC1(C)OC(=O)[N-]C1=O.[Na+]
InChIInChI=1S/C5H7NO3.Na/c1-5(2)3(7)6-4(8)9-5;/h1-2H3,(H,6,7,8);/q;+1/p-1
InChIKeyOWGHQPIPPHGSGP-UHFFFAOYSA-M
XLogP-2.18
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.10
LogP ≤ 5-2.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 5,5-dimethyl-1,3-oxazolidin-3-ide-2,4-dione?
The IUPAC name of sodium 5,5-dimethyl-1,3-oxazolidin-3-ide-2,4-dione (CID 15541849) is sodium 5,5-dimethyl-1,3-oxazolidin-3-ide-2,4-dione.
What is the SMILES notation for sodium 5,5-dimethyl-1,3-oxazolidin-3-ide-2,4-dione?
The canonical SMILES for sodium 5,5-dimethyl-1,3-oxazolidin-3-ide-2,4-dione is CC1(C)OC(=O)[N-]C1=O.[Na+].
What is the InChIKey of sodium 5,5-dimethyl-1,3-oxazolidin-3-ide-2,4-dione?
The InChIKey is OWGHQPIPPHGSGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO3.Na/c1-5(2)3(7)6-4(8)9-5;/h1-2H3,(H,6,7,8);/q;+1/p-1.
What are the key properties of sodium 5,5-dimethyl-1,3-oxazolidin-3-ide-2,4-dione?
sodium 5,5-dimethyl-1,3-oxazolidin-3-ide-2,4-dione has a molecular weight of 151.10 g/mol, XLogP of -2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5,5-dimethyl-1,3-oxazolidin-3-ide-2,4-dione is sourced from PubChem (CID 15541849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).