sodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride

C7H12NNaO3 — CID 173208039

IUPACsodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride
SMILESCCCCC1OC(=O)NC1=O.[H-].[Na+]
InChIInChI=1S/C7H11NO3.Na.H/c1-2-3-4-5-6(9)8-7(10)11-5;;/h5H,2-4H2,1H3,(H,8,9,10);;/q;+1;-1
InChIKeyIBRQOAFFASKEKR-UHFFFAOYSA-N
MW181.17 g/mol
LogP-2.07
Rot. Bonds3

About sodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride

sodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride (PubChem CID 173208039) has the molecular formula C7H12NNaO3 and a molecular weight of 181.17 g/mol. Its IUPAC name is sodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride.

Molecular Properties

Compound Namesodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride
PubChem CID173208039
Molecular FormulaC7H12NNaO3
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC Namesodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride
SMILESCCCCC1OC(=O)NC1=O.[H-].[Na+]
InChIInChI=1S/C7H11NO3.Na.H/c1-2-3-4-5-6(9)8-7(10)11-5;;/h5H,2-4H2,1H3,(H,8,9,10);;/q;+1;-1
InChIKeyIBRQOAFFASKEKR-UHFFFAOYSA-N
XLogP-2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 5-2.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyloxiran-2-one
CID 18762090
(2R)-2-butyl-3-oxo-4H-1,4-benzoxazine-6-sulfonyl chloride
CID 129418539
3,6-diheptyl-1,4-dioxane-2,5-dione
CID 14460388
CID 66970234
CID 66970234
(5R)-5-butylimidazolidine-2,4-dione
CID 51416195
sodium;3-butyl-3H-2-benzofuran-1-one;chloride
CID 158720726
(4R,5S)-4-butyl-5-(chloromethyl)-1,3-oxazolidin-2-one
CID 15531680
5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione
CID 13052068
CID 70546334
CID 70546334
CID 70390787
CID 70390787
3,8-dibutyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
CID 13436243
(5S)-5-butyl-2-sulfanylideneimidazolidin-4-one
CID 131856782

Frequently Asked Questions

What is the IUPAC name of sodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride?
The IUPAC name of sodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride (CID 173208039) is sodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride.
What is the SMILES notation for sodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride?
The canonical SMILES for sodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride is CCCCC1OC(=O)NC1=O.[H-].[Na+].
What is the InChIKey of sodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride?
The InChIKey is IBRQOAFFASKEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3.Na.H/c1-2-3-4-5-6(9)8-7(10)11-5;;/h5H,2-4H2,1H3,(H,8,9,10);;/q;+1;-1.
What are the key properties of sodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride?
sodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride has a molecular weight of 181.17 g/mol, XLogP of -2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-butyl-1,3-oxazolidine-2,4-dione;hydride is sourced from PubChem (CID 173208039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).