nitronium

N2O4+2 — CID 15806585

IUPACnitronium
SMILESO=[N+]=O.O=[N+]=O
InChIInChI=1S/2NO2/c2*2-1-3/q2*+1
InChIKeyJKRXIMLFSMHIKV-UHFFFAOYSA-N
MW92.01 g/mol
LogP-0.83
Rot. Bonds

About nitronium

nitronium (PubChem CID 15806585) has the molecular formula N2O4+2 and a molecular weight of 92.01 g/mol. Its IUPAC name is nitronium.

Molecular Properties

Compound Namenitronium
PubChem CID15806585
Molecular FormulaN2O4+2
Molecular Weight92.01 g/mol
Exact Mass91.98
IUPAC Namenitronium
SMILESO=[N+]=O.O=[N+]=O
InChIInChI=1S/2NO2/c2*2-1-3/q2*+1
InChIKeyJKRXIMLFSMHIKV-UHFFFAOYSA-N
XLogP-0.83
TPSA96.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.01
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nitronium?
The IUPAC name of nitronium (CID 15806585) is nitronium.
What is the SMILES notation for nitronium?
The canonical SMILES for nitronium is O=[N+]=O.O=[N+]=O.
What is the InChIKey of nitronium?
The InChIKey is JKRXIMLFSMHIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/2NO2/c2*2-1-3/q2*+1.
What are the key properties of nitronium?
nitronium has a molecular weight of 92.01 g/mol, XLogP of -0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitronium is sourced from PubChem (CID 15806585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).