About N-iodonitramide
N-iodonitramide (PubChem CID 18763589) has the molecular formula HIN2O2
and a molecular weight of 187.92 g/mol. Its IUPAC name is N-iodonitramide.
Molecular Properties
| Compound Name | N-iodonitramide |
|---|
| PubChem CID | 18763589 |
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| Molecular Formula | HIN2O2 |
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| Molecular Weight | 187.92 g/mol |
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| Exact Mass | 187.91 |
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| IUPAC Name | N-iodonitramide |
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| SMILES | O=[N+]([O-])NI |
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| InChI | InChI=1S/HIN2O2/c1-2-3(4)5/h2H |
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| InChIKey | CTJCZXRXMIGPDM-UHFFFAOYSA-N |
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| XLogP | 0.12 |
|---|
| TPSA | 55.17 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 5 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 187.92 |
| LogP ≤ 5 | 0.12 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'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-iodonitramide?
The IUPAC name of N-iodonitramide (CID 18763589) is N-iodonitramide.
What is the SMILES notation for N-iodonitramide?
The canonical SMILES for N-iodonitramide is O=[N+]([O-])NI.
What is the InChIKey of N-iodonitramide?
The InChIKey is CTJCZXRXMIGPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/HIN2O2/c1-2-3(4)5/h2H.
What are the key properties of N-iodonitramide?
N-iodonitramide has a molecular weight of 187.92 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodonitramide is sourced from PubChem (CID 18763589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).