About [(Z)-3-chloroprop-2-enylidene]-dimethylazanium
[(Z)-3-chloroprop-2-enylidene]-dimethylazanium (PubChem CID 134924545) has the molecular formula C5H9ClN+
and a molecular weight of 118.59 g/mol. Its IUPAC name is [(Z)-3-chloroprop-2-enylidene]-dimethylazanium.
Molecular Properties
| Compound Name | [(Z)-3-chloroprop-2-enylidene]-dimethylazanium |
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| PubChem CID | 134924545 |
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| Molecular Formula | C5H9ClN+ |
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| Molecular Weight | 118.59 g/mol |
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| Exact Mass | 118.04 |
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| IUPAC Name | [(Z)-3-chloroprop-2-enylidene]-dimethylazanium |
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| SMILES | C[N+](C)=C/C=C\Cl |
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| InChI | InChI=1S/C5H9ClN/c1-7(2)5-3-4-6/h3-5H,1-2H3/q+1/b4-3- |
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| InChIKey | HRZYNOJETLYJCJ-ARJAWSKDSA-N |
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| XLogP | 1.08 |
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| TPSA | 3.01 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 | 7 |
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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 | 118.59 |
| LogP ≤ 5 | 1.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(Z)-3-chloroprop-2-enylidene]-dimethylazanium?
The IUPAC name of [(Z)-3-chloroprop-2-enylidene]-dimethylazanium (CID 134924545) is [(Z)-3-chloroprop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-3-chloroprop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(Z)-3-chloroprop-2-enylidene]-dimethylazanium is C[N+](C)=C/C=C\Cl.
What is the InChIKey of [(Z)-3-chloroprop-2-enylidene]-dimethylazanium?
The InChIKey is HRZYNOJETLYJCJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9ClN/c1-7(2)5-3-4-6/h3-5H,1-2H3/q+1/b4-3-.
What are the key properties of [(Z)-3-chloroprop-2-enylidene]-dimethylazanium?
[(Z)-3-chloroprop-2-enylidene]-dimethylazanium has a molecular weight of 118.59 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-chloroprop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 134924545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).