About nitronium
nitronium (PubChem CID 3609161) has the molecular formula NO2+
and a molecular weight of 46.01 g/mol. Its IUPAC name is nitronium.
Molecular Properties
| Compound Name | nitronium |
|---|
| PubChem CID | 3609161 |
|---|
| Molecular Formula | NO2+ |
|---|
| Molecular Weight | 46.01 g/mol |
|---|
| Exact Mass | 45.99 |
|---|
| IUPAC Name | nitronium |
|---|
| SMILES | O=[N+]=O |
|---|
| InChI | InChI=1S/NO2/c2-1-3/q+1 |
|---|
| InChIKey | OMBRFUXPXNIUCZ-UHFFFAOYSA-N |
|---|
| XLogP | -0.41 |
|---|
| TPSA | 48.24 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 3 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 46.01 |
| LogP ≤ 5 | -0.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 3609161) is nitronium.
What is the SMILES notation for nitronium?
The canonical SMILES for nitronium is O=[N+]=O.
What is the InChIKey of nitronium?
The InChIKey is OMBRFUXPXNIUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/NO2/c2-1-3/q+1.
What are the key properties of nitronium?
nitronium has a molecular weight of 46.01 g/mol, XLogP of -0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitronium is sourced from PubChem (CID 3609161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).