nitronium nitrate

N2O5 — CID 139089047

IUPACnitronium nitrate
SMILESO=[N+]([O-])[O-].O=[N+]=O
InChIInChI=1S/NO3.NO2/c2-1(3)4;2-1-3/q-1;+1
InChIKeyZYNHLQRHIUHGLD-UHFFFAOYSA-N
MW108.01 g/mol
LogP-0.65
Rot. Bonds

About nitronium nitrate

nitronium nitrate (PubChem CID 139089047) has the molecular formula N2O5 and a molecular weight of 108.01 g/mol. Its IUPAC name is nitronium nitrate.

Molecular Properties

Compound Namenitronium nitrate
PubChem CID139089047
Molecular FormulaN2O5
Molecular Weight108.01 g/mol
Exact Mass107.98
IUPAC Namenitronium nitrate
SMILESO=[N+]([O-])[O-].O=[N+]=O
InChIInChI=1S/NO3.NO2/c2-1(3)4;2-1-3/q-1;+1
InChIKeyZYNHLQRHIUHGLD-UHFFFAOYSA-N
XLogP-0.65
TPSA114.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.01
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nitronium nitrate?
The IUPAC name of nitronium nitrate (CID 139089047) is nitronium nitrate.
What is the SMILES notation for nitronium nitrate?
The canonical SMILES for nitronium nitrate is O=[N+]([O-])[O-].O=[N+]=O.
What is the InChIKey of nitronium nitrate?
The InChIKey is ZYNHLQRHIUHGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/NO3.NO2/c2-1(3)4;2-1-3/q-1;+1.
What are the key properties of nitronium nitrate?
nitronium nitrate has a molecular weight of 108.01 g/mol, XLogP of -0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitronium nitrate is sourced from PubChem (CID 139089047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).