sodium;hydride;5-nitro-1,3-dioxane

C4H8NNaO4 — CID 174884511

IUPACsodium;hydride;5-nitro-1,3-dioxane
SMILESO=[N+]([O-])C1COCOC1.[H-].[Na+]
InChIInChI=1S/C4H7NO4.Na.H/c6-5(7)4-1-8-3-9-2-4;;/h4H,1-3H2;;/q;+1;-1
InChIKeyNJBAYYGYXMGTGL-UHFFFAOYSA-N
MW157.10 g/mol
LogP-3.25
Rot. Bonds1

About sodium;hydride;5-nitro-1,3-dioxane

sodium;hydride;5-nitro-1,3-dioxane (PubChem CID 174884511) has the molecular formula C4H8NNaO4 and a molecular weight of 157.10 g/mol. Its IUPAC name is sodium;hydride;5-nitro-1,3-dioxane.

Molecular Properties

Compound Namesodium;hydride;5-nitro-1,3-dioxane
PubChem CID174884511
Molecular FormulaC4H8NNaO4
Molecular Weight157.10 g/mol
Exact Mass157.04
IUPAC Namesodium;hydride;5-nitro-1,3-dioxane
SMILESO=[N+]([O-])C1COCOC1.[H-].[Na+]
InChIInChI=1S/C4H7NO4.Na.H/c6-5(7)4-1-8-3-9-2-4;;/h4H,1-3H2;;/q;+1;-1
InChIKeyNJBAYYGYXMGTGL-UHFFFAOYSA-N
XLogP-3.25
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.10
LogP ≤ 5-3.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
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1-hydroxy-4-nitropiperidine
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sodium;hydride;nitric acid
CID 174891443
CID 148762537
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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;5-nitro-1,3-dioxane?
The IUPAC name of sodium;hydride;5-nitro-1,3-dioxane (CID 174884511) is sodium;hydride;5-nitro-1,3-dioxane.
What is the SMILES notation for sodium;hydride;5-nitro-1,3-dioxane?
The canonical SMILES for sodium;hydride;5-nitro-1,3-dioxane is O=[N+]([O-])C1COCOC1.[H-].[Na+].
What is the InChIKey of sodium;hydride;5-nitro-1,3-dioxane?
The InChIKey is NJBAYYGYXMGTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4.Na.H/c6-5(7)4-1-8-3-9-2-4;;/h4H,1-3H2;;/q;+1;-1.
What are the key properties of sodium;hydride;5-nitro-1,3-dioxane?
sodium;hydride;5-nitro-1,3-dioxane has a molecular weight of 157.10 g/mol, XLogP of -3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;5-nitro-1,3-dioxane is sourced from PubChem (CID 174884511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).