About Oxo(~15~N_2_)-1lambda~5~-diazyne
Oxo(~15~N_2_)-1lambda~5~-diazyne (PubChem CID 12622056) has the molecular formula N2O
and a molecular weight of 46.00 g/mol.
Molecular Properties
| Compound Name | Oxo(~15~N_2_)-1lambda~5~-diazyne |
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| PubChem CID | 12622056 |
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| Molecular Formula | N2O |
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| Molecular Weight | 46.00 g/mol |
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| Exact Mass | 46.00 |
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| IUPAC Name | — |
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| SMILES | [15N-]=[15N+]=O |
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| InChI | InChI=1S/N2O/c1-2-3/i1+1,2+1 |
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| InChIKey | GQPLMRYTRLFLPF-ZDOIIHCHSA-N |
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| XLogP | -0.16 |
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| TPSA | 53.47 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 3 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 46.00 |
| LogP ≤ 5 | -0.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of Oxo(~15~N_2_)-1lambda~5~-diazyne?
The IUPAC name of Oxo(~15~N_2_)-1lambda~5~-diazyne (CID 12622056) is not available.
What is the SMILES notation for Oxo(~15~N_2_)-1lambda~5~-diazyne?
The canonical SMILES for Oxo(~15~N_2_)-1lambda~5~-diazyne is [15N-]=[15N+]=O.
What is the InChIKey of Oxo(~15~N_2_)-1lambda~5~-diazyne?
The InChIKey is GQPLMRYTRLFLPF-ZDOIIHCHSA-N. The full InChI is InChI=1S/N2O/c1-2-3/i1+1,2+1.
What are the key properties of Oxo(~15~N_2_)-1lambda~5~-diazyne?
Oxo(~15~N_2_)-1lambda~5~-diazyne has a molecular weight of 46.00 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Oxo(~15~N_2_)-1lambda~5~-diazyne is sourced from PubChem (CID 12622056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).