About ruthenium(1+);2,3,4,5-tetrahydropyrrol-5-ide
ruthenium(1+);2,3,4,5-tetrahydropyrrol-5-ide (PubChem CID 59356814) has the molecular formula C4H6NRu
and a molecular weight of 169.17 g/mol. Its IUPAC name is ruthenium(1+);2,3,4,5-tetrahydropyrrol-5-ide.
Molecular Properties
| Compound Name | ruthenium(1+);2,3,4,5-tetrahydropyrrol-5-ide |
|---|
| PubChem CID | 59356814 |
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| Molecular Formula | C4H6NRu |
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| Molecular Weight | 169.17 g/mol |
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| Exact Mass | 169.95 |
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| IUPAC Name | ruthenium(1+);2,3,4,5-tetrahydropyrrol-5-ide |
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| SMILES | [C-]1=NCCC1.[Ru+] |
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| InChI | InChI=1S/C4H6N.Ru/c1-2-4-5-3-1;/h1-3H2;/q-1;+1 |
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| InChIKey | VBGXKTYMLUPBEY-UHFFFAOYSA-N |
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| XLogP | 0.73 |
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| TPSA | 12.36 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 | 6 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 169.17 |
| LogP ≤ 5 | 0.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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 ruthenium(1+);2,3,4,5-tetrahydropyrrol-5-ide?
The IUPAC name of ruthenium(1+);2,3,4,5-tetrahydropyrrol-5-ide (CID 59356814) is ruthenium(1+);2,3,4,5-tetrahydropyrrol-5-ide.
What is the SMILES notation for ruthenium(1+);2,3,4,5-tetrahydropyrrol-5-ide?
The canonical SMILES for ruthenium(1+);2,3,4,5-tetrahydropyrrol-5-ide is [C-]1=NCCC1.[Ru+].
What is the InChIKey of ruthenium(1+);2,3,4,5-tetrahydropyrrol-5-ide?
The InChIKey is VBGXKTYMLUPBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N.Ru/c1-2-4-5-3-1;/h1-3H2;/q-1;+1.
What are the key properties of ruthenium(1+);2,3,4,5-tetrahydropyrrol-5-ide?
ruthenium(1+);2,3,4,5-tetrahydropyrrol-5-ide has a molecular weight of 169.17 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium(1+);2,3,4,5-tetrahydropyrrol-5-ide is sourced from PubChem (CID 59356814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).