[aminooxy(oxido)azaniumyl]oxyethane

C2H8N2O3 — CID 163474472

IUPAC[aminooxy(oxido)azaniumyl]oxyethane
SMILESCCO[NH+]([O-])ON
InChIInChI=1S/C2H8N2O3/c1-2-6-4(5)7-3/h4H,2-3H2,1H3
InChIKeyBZHPQMLOEHWWMC-UHFFFAOYSA-N
MW108.10 g/mol
LogP-1.87
Rot. Bonds3

About [aminooxy(oxido)azaniumyl]oxyethane

[aminooxy(oxido)azaniumyl]oxyethane (PubChem CID 163474472) has the molecular formula C2H8N2O3 and a molecular weight of 108.10 g/mol. Its IUPAC name is [aminooxy(oxido)azaniumyl]oxyethane.

Molecular Properties

Compound Name[aminooxy(oxido)azaniumyl]oxyethane
PubChem CID163474472
Molecular FormulaC2H8N2O3
Molecular Weight108.10 g/mol
Exact Mass108.05
IUPAC Name[aminooxy(oxido)azaniumyl]oxyethane
SMILESCCO[NH+]([O-])ON
InChIInChI=1S/C2H8N2O3/c1-2-6-4(5)7-3/h4H,2-3H2,1H3
InChIKeyBZHPQMLOEHWWMC-UHFFFAOYSA-N
XLogP-1.87
TPSA71.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [aminooxy(oxido)azaniumyl]oxyethane?
The IUPAC name of [aminooxy(oxido)azaniumyl]oxyethane (CID 163474472) is [aminooxy(oxido)azaniumyl]oxyethane.
What is the SMILES notation for [aminooxy(oxido)azaniumyl]oxyethane?
The canonical SMILES for [aminooxy(oxido)azaniumyl]oxyethane is CCO[NH+]([O-])ON.
What is the InChIKey of [aminooxy(oxido)azaniumyl]oxyethane?
The InChIKey is BZHPQMLOEHWWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O3/c1-2-6-4(5)7-3/h4H,2-3H2,1H3.
What are the key properties of [aminooxy(oxido)azaniumyl]oxyethane?
[aminooxy(oxido)azaniumyl]oxyethane has a molecular weight of 108.10 g/mol, XLogP of -1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [aminooxy(oxido)azaniumyl]oxyethane is sourced from PubChem (CID 163474472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).