About copper(1+);1-methylpyrrolidin-2-one;nitrate
copper(1+);1-methylpyrrolidin-2-one;nitrate (PubChem CID 175539461) has the molecular formula C5H9CuN2O4
and a molecular weight of 224.68 g/mol. Its IUPAC name is copper(1+);1-methylpyrrolidin-2-one;nitrate.
Molecular Properties
| Compound Name | copper(1+);1-methylpyrrolidin-2-one;nitrate |
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| PubChem CID | 175539461 |
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| Molecular Formula | C5H9CuN2O4 |
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| Molecular Weight | 224.68 g/mol |
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| Exact Mass | 223.99 |
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| IUPAC Name | copper(1+);1-methylpyrrolidin-2-one;nitrate |
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| SMILES | CN1CCCC1=O.O=[N+]([O-])[O-].[Cu+] |
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| InChI | InChI=1S/C5H9NO.Cu.NO3/c1-6-4-2-3-5(6)7;;2-1(3)4/h2-4H2,1H3;;/q;+1;-1 |
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| InChIKey | WFXVKEAMYYEKHJ-UHFFFAOYSA-N |
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| XLogP | -0.00 |
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| TPSA | 86.51 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
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| Heavy Atoms | 12 |
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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 | 224.68 |
| LogP ≤ 5 | -0.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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 copper(1+);1-methylpyrrolidin-2-one;nitrate?
The IUPAC name of copper(1+);1-methylpyrrolidin-2-one;nitrate (CID 175539461) is copper(1+);1-methylpyrrolidin-2-one;nitrate.
What is the SMILES notation for copper(1+);1-methylpyrrolidin-2-one;nitrate?
The canonical SMILES for copper(1+);1-methylpyrrolidin-2-one;nitrate is CN1CCCC1=O.O=[N+]([O-])[O-].[Cu+].
What is the InChIKey of copper(1+);1-methylpyrrolidin-2-one;nitrate?
The InChIKey is WFXVKEAMYYEKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.Cu.NO3/c1-6-4-2-3-5(6)7;;2-1(3)4/h2-4H2,1H3;;/q;+1;-1.
What are the key properties of copper(1+);1-methylpyrrolidin-2-one;nitrate?
copper(1+);1-methylpyrrolidin-2-one;nitrate has a molecular weight of 224.68 g/mol, XLogP of -0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);1-methylpyrrolidin-2-one;nitrate is sourced from PubChem (CID 175539461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).