About N-nitrosonitramide
N-nitrosonitramide (PubChem CID 57428723) has the molecular formula HN3O3
and a molecular weight of 91.03 g/mol. Its IUPAC name is N-nitrosonitramide.
Molecular Properties
| Compound Name | N-nitrosonitramide |
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| PubChem CID | 57428723 |
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| Molecular Formula | HN3O3 |
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| Molecular Weight | 91.03 g/mol |
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| Exact Mass | 91.00 |
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| IUPAC Name | N-nitrosonitramide |
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| SMILES | O=NN[N+](=O)[O-] |
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| InChI | InChI=1S/HN3O3/c4-2-1-3(5)6/h(H,1,4) |
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| InChIKey | ZTQADAPGLVMBSC-UHFFFAOYSA-N |
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| XLogP | -0.55 |
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| TPSA | 84.60 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 2 |
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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 | 91.03 |
| LogP ≤ 5 | -0.55 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 N-nitrosonitramide?
The IUPAC name of N-nitrosonitramide (CID 57428723) is N-nitrosonitramide.
What is the SMILES notation for N-nitrosonitramide?
The canonical SMILES for N-nitrosonitramide is O=NN[N+](=O)[O-].
What is the InChIKey of N-nitrosonitramide?
The InChIKey is ZTQADAPGLVMBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/HN3O3/c4-2-1-3(5)6/h(H,1,4).
What are the key properties of N-nitrosonitramide?
N-nitrosonitramide has a molecular weight of 91.03 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-nitrosonitramide is sourced from PubChem (CID 57428723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).