About (nitrooxyamino) nitrate
(nitrooxyamino) nitrate (PubChem CID 150922952) has the molecular formula HN3O6
and a molecular weight of 139.02 g/mol. Its IUPAC name is (nitrooxyamino) nitrate.
Molecular Properties
| Compound Name | (nitrooxyamino) nitrate |
|---|
| PubChem CID | 150922952 |
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| Molecular Formula | HN3O6 |
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| Molecular Weight | 139.02 g/mol |
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| Exact Mass | 138.99 |
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| IUPAC Name | (nitrooxyamino) nitrate |
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| SMILES | O=[N+]([O-])ONO[N+](=O)[O-] |
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| InChI | InChI=1S/HN3O6/c4-2(5)8-1-9-3(6)7/h1H |
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| InChIKey | LEKJSUBLZGEXQL-UHFFFAOYSA-N |
|---|
| XLogP | -1.18 |
|---|
| TPSA | 116.77 Ų |
|---|
| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 139.02 |
| LogP ≤ 5 | -1.18 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'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 (nitrooxyamino) nitrate?
The IUPAC name of (nitrooxyamino) nitrate (CID 150922952) is (nitrooxyamino) nitrate.
What is the SMILES notation for (nitrooxyamino) nitrate?
The canonical SMILES for (nitrooxyamino) nitrate is O=[N+]([O-])ONO[N+](=O)[O-].
What is the InChIKey of (nitrooxyamino) nitrate?
The InChIKey is LEKJSUBLZGEXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/HN3O6/c4-2(5)8-1-9-3(6)7/h1H.
What are the key properties of (nitrooxyamino) nitrate?
(nitrooxyamino) nitrate has a molecular weight of 139.02 g/mol, XLogP of -1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (nitrooxyamino) nitrate is sourced from PubChem (CID 150922952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).