About cyclopenta-1,3-diene;neodymium(3+);dichloride
cyclopenta-1,3-diene;neodymium(3+);dichloride (PubChem CID 137481493) has the molecular formula C5H5Cl2Nd
and a molecular weight of 280.24 g/mol. Its IUPAC name is cyclopenta-1,3-diene;neodymium(3+);dichloride.
Molecular Properties
| Compound Name | cyclopenta-1,3-diene;neodymium(3+);dichloride |
|---|
| PubChem CID | 137481493 |
|---|
| Molecular Formula | C5H5Cl2Nd |
|---|
| Molecular Weight | 280.24 g/mol |
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| Exact Mass | 276.88 |
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| IUPAC Name | cyclopenta-1,3-diene;neodymium(3+);dichloride |
|---|
| SMILES | [Cl-].[Cl-].[Nd+3].c1cc[cH-]c1 |
|---|
| InChI | InChI=1S/C5H5.2ClH.Nd/c1-2-4-5-3-1;;;/h1-5H;2*1H;/q-1;;;+3/p-2 |
|---|
| InChIKey | XSLBUUBYMRLIIC-UHFFFAOYSA-L |
|---|
| XLogP | -4.59 |
|---|
| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 280.24 |
| LogP ≤ 5 | -4.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 cyclopenta-1,3-diene;neodymium(3+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;neodymium(3+);dichloride (CID 137481493) is cyclopenta-1,3-diene;neodymium(3+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;neodymium(3+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;neodymium(3+);dichloride is [Cl-].[Cl-].[Nd+3].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;neodymium(3+);dichloride?
The InChIKey is XSLBUUBYMRLIIC-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H5.2ClH.Nd/c1-2-4-5-3-1;;;/h1-5H;2*1H;/q-1;;;+3/p-2.
What are the key properties of cyclopenta-1,3-diene;neodymium(3+);dichloride?
cyclopenta-1,3-diene;neodymium(3+);dichloride has a molecular weight of 280.24 g/mol, XLogP of -4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;neodymium(3+);dichloride is sourced from PubChem (CID 137481493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).