About cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-yl(trimethyl)azanium;zirconium
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-yl(trimethyl)azanium;zirconium (PubChem CID 174349243) has the molecular formula C13H20NZr+
and a molecular weight of 281.53 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-yl(trimethyl)azanium;zirconium.
Molecular Properties
| Compound Name | cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-yl(trimethyl)azanium;zirconium |
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| PubChem CID | 174349243 |
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| Molecular Formula | C13H20NZr+ |
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| Molecular Weight | 281.53 g/mol |
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| Exact Mass | 280.06 |
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| IUPAC Name | cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-yl(trimethyl)azanium;zirconium |
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| SMILES | C1=CCC=C1.C[N+](C)(C)C1C=CC=C1.[Zr] |
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| InChI | InChI=1S/C8H14N.C5H6.Zr/c1-9(2,3)8-6-4-5-7-8;1-2-4-5-3-1;/h4-8H,1-3H3;1-4H,5H2;/q+1;; |
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| InChIKey | LOMYXCJJFMMDBZ-UHFFFAOYSA-N |
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| XLogP | 2.69 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 15 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 281.53 |
| LogP ≤ 5 | 2.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-yl(trimethyl)azanium;zirconium?
The IUPAC name of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-yl(trimethyl)azanium;zirconium (CID 174349243) is cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-yl(trimethyl)azanium;zirconium.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-yl(trimethyl)azanium;zirconium?
The canonical SMILES for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-yl(trimethyl)azanium;zirconium is C1=CCC=C1.C[N+](C)(C)C1C=CC=C1.[Zr].
What is the InChIKey of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-yl(trimethyl)azanium;zirconium?
The InChIKey is LOMYXCJJFMMDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N.C5H6.Zr/c1-9(2,3)8-6-4-5-7-8;1-2-4-5-3-1;/h4-8H,1-3H3;1-4H,5H2;/q+1;;.
What are the key properties of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-yl(trimethyl)azanium;zirconium?
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-yl(trimethyl)azanium;zirconium has a molecular weight of 281.53 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-yl(trimethyl)azanium;zirconium is sourced from PubChem (CID 174349243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).