sodium 5-butyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione

C8H12NNaO3 — CID 23713033

IUPACsodium 5-butyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione
SMILESCCCCC1(C)OC(=O)[N-]C1=O.[Na+]
InChIInChI=1S/C8H13NO3.Na/c1-3-4-5-8(2)6(10)9-7(11)12-8;/h3-5H2,1-2H3,(H,9,10,11);/q;+1/p-1
InChIKeyBNPDUVFRZVJENZ-UHFFFAOYSA-M
MW193.18 g/mol
LogP-1.01
Rot. Bonds3

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

sodium 5-butyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione (PubChem CID 23713033) has the molecular formula C8H12NNaO3 and a molecular weight of 193.18 g/mol. Its IUPAC name is sodium 5-butyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione.

Molecular Properties

Compound Namesodium 5-butyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione
PubChem CID23713033
Molecular FormulaC8H12NNaO3
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Namesodium 5-butyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione
SMILESCCCCC1(C)OC(=O)[N-]C1=O.[Na+]
InChIInChI=1S/C8H13NO3.Na/c1-3-4-5-8(2)6(10)9-7(11)12-8;/h3-5H2,1-2H3,(H,9,10,11);/q;+1/p-1
InChIKeyBNPDUVFRZVJENZ-UHFFFAOYSA-M
XLogP-1.01
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 5-butyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione?
The IUPAC name of sodium 5-butyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione (CID 23713033) is sodium 5-butyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione.
What is the SMILES notation for sodium 5-butyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione?
The canonical SMILES for sodium 5-butyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione is CCCCC1(C)OC(=O)[N-]C1=O.[Na+].
What is the InChIKey of sodium 5-butyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione?
The InChIKey is BNPDUVFRZVJENZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13NO3.Na/c1-3-4-5-8(2)6(10)9-7(11)12-8;/h3-5H2,1-2H3,(H,9,10,11);/q;+1/p-1.
What are the key properties of sodium 5-butyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione?
sodium 5-butyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione has a molecular weight of 193.18 g/mol, XLogP of -1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-butyl-5-methyl-1,3-oxazolidin-3-ide-2,4-dione is sourced from PubChem (CID 23713033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).