aminooxy(oxo)oxidanium

H2NO3+ — CID 57461350

IUPACaminooxy(oxo)oxidanium
SMILESNO[O+]=O
InChIInChI=1S/H2NO3/c1-3-4-2/h1H2/q+1
InChIKeyZIWUKDKUFJXNNN-UHFFFAOYSA-N
MW64.02 g/mol
LogP-0.59
Rot. Bonds1

About aminooxy(oxo)oxidanium

aminooxy(oxo)oxidanium (PubChem CID 57461350) has the molecular formula H2NO3+ and a molecular weight of 64.02 g/mol. Its IUPAC name is aminooxy(oxo)oxidanium.

Molecular Properties

Compound Nameaminooxy(oxo)oxidanium
PubChem CID57461350
Molecular FormulaH2NO3+
Molecular Weight64.02 g/mol
Exact Mass64.00
IUPAC Nameaminooxy(oxo)oxidanium
SMILESNO[O+]=O
InChIInChI=1S/H2NO3/c1-3-4-2/h1H2/q+1
InChIKeyZIWUKDKUFJXNNN-UHFFFAOYSA-N
XLogP-0.59
TPSA63.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50064.02
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aminooxy(oxo)oxidanium?
The IUPAC name of aminooxy(oxo)oxidanium (CID 57461350) is aminooxy(oxo)oxidanium.
What is the SMILES notation for aminooxy(oxo)oxidanium?
The canonical SMILES for aminooxy(oxo)oxidanium is NO[O+]=O.
What is the InChIKey of aminooxy(oxo)oxidanium?
The InChIKey is ZIWUKDKUFJXNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/H2NO3/c1-3-4-2/h1H2/q+1.
What are the key properties of aminooxy(oxo)oxidanium?
aminooxy(oxo)oxidanium has a molecular weight of 64.02 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminooxy(oxo)oxidanium is sourced from PubChem (CID 57461350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).