About azanylidyneoxidanium nitrate
azanylidyneoxidanium nitrate (PubChem CID 23358534) has the molecular formula N2O4
and a molecular weight of 92.01 g/mol. Its IUPAC name is azanylidyneoxidanium nitrate.
Molecular Properties
| Compound Name | azanylidyneoxidanium nitrate |
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| PubChem CID | 23358534 |
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| Molecular Formula | N2O4 |
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| Molecular Weight | 92.01 g/mol |
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| Exact Mass | 91.99 |
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| IUPAC Name | azanylidyneoxidanium nitrate |
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| SMILES | N#[O+].O=[N+]([O-])[O-] |
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| InChI | InChI=1S/NO3.NO/c2-1(3)4;1-2/q-1;+1 |
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| InChIKey | SWINTVPHHIJZJR-UHFFFAOYSA-N |
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| XLogP | -0.34 |
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| TPSA | 109.89 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
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| Heavy Atoms | 6 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 92.01 |
| LogP ≤ 5 | -0.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of azanylidyneoxidanium nitrate?
The IUPAC name of azanylidyneoxidanium nitrate (CID 23358534) is azanylidyneoxidanium nitrate.
What is the SMILES notation for azanylidyneoxidanium nitrate?
The canonical SMILES for azanylidyneoxidanium nitrate is N#[O+].O=[N+]([O-])[O-].
What is the InChIKey of azanylidyneoxidanium nitrate?
The InChIKey is SWINTVPHHIJZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/NO3.NO/c2-1(3)4;1-2/q-1;+1.
What are the key properties of azanylidyneoxidanium nitrate?
azanylidyneoxidanium nitrate has a molecular weight of 92.01 g/mol, XLogP of -0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyneoxidanium nitrate is sourced from PubChem (CID 23358534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).