About 1-nitroethylphosphane
1-nitroethylphosphane (PubChem CID 89147319) has the molecular formula C2H6NO2P
and a molecular weight of 107.05 g/mol. Its IUPAC name is 1-nitroethylphosphane.
Molecular Properties
| Compound Name | 1-nitroethylphosphane |
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| PubChem CID | 89147319 |
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| Molecular Formula | C2H6NO2P |
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| Molecular Weight | 107.05 g/mol |
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| Exact Mass | 107.01 |
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| IUPAC Name | 1-nitroethylphosphane |
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| SMILES | CC(P)[N+](=O)[O-] |
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| InChI | InChI=1S/C2H6NO2P/c1-2(6)3(4)5/h2H,6H2,1H3 |
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| InChIKey | XNDKYEBPYASSOX-UHFFFAOYSA-N |
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| XLogP | 0.48 |
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| TPSA | 43.14 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 1 |
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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 | 107.05 |
| LogP ≤ 5 | 0.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-nitroethylphosphane?
The IUPAC name of 1-nitroethylphosphane (CID 89147319) is 1-nitroethylphosphane.
What is the SMILES notation for 1-nitroethylphosphane?
The canonical SMILES for 1-nitroethylphosphane is CC(P)[N+](=O)[O-].
What is the InChIKey of 1-nitroethylphosphane?
The InChIKey is XNDKYEBPYASSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6NO2P/c1-2(6)3(4)5/h2H,6H2,1H3.
What are the key properties of 1-nitroethylphosphane?
1-nitroethylphosphane has a molecular weight of 107.05 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroethylphosphane is sourced from PubChem (CID 89147319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).