About magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine
magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine (PubChem CID 21355747) has the molecular formula C13H19MgNO
and a molecular weight of 229.61 g/mol. Its IUPAC name is magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine.
Molecular Properties
| Compound Name | magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine |
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| PubChem CID | 21355747 |
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| Molecular Formula | C13H19MgNO |
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| Molecular Weight | 229.61 g/mol |
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| Exact Mass | 229.13 |
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| IUPAC Name | magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine |
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| SMILES | [CH3-].[Mg+2].[c-]1ccc(OCCN2CCCC2)cc1 |
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| InChI | InChI=1S/C12H16NO.CH3.Mg/c1-2-6-12(7-3-1)14-11-10-13-8-4-5-9-13;;/h2-3,6-7H,4-5,8-11H2;1H3;/q2*-1;+2 |
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| InChIKey | JNNHUASIDQZBNR-UHFFFAOYSA-N |
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| XLogP | 2.03 |
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| TPSA | 12.47 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 16 |
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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 | 229.61 |
| LogP ≤ 5 | 2.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine?
The IUPAC name of magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine (CID 21355747) is magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine.
What is the SMILES notation for magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine?
The canonical SMILES for magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine is [CH3-].[Mg+2].[c-]1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine?
The InChIKey is JNNHUASIDQZBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO.CH3.Mg/c1-2-6-12(7-3-1)14-11-10-13-8-4-5-9-13;;/h2-3,6-7H,4-5,8-11H2;1H3;/q2*-1;+2.
What are the key properties of magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine?
magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine has a molecular weight of 229.61 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 21355747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).