About [(Z)-but-2-enylidene]-ethyl-methylazanium
[(Z)-but-2-enylidene]-ethyl-methylazanium (PubChem CID 89324383) has the molecular formula C7H14N+
and a molecular weight of 112.20 g/mol. Its IUPAC name is [(Z)-but-2-enylidene]-ethyl-methylazanium.
Molecular Properties
| Compound Name | [(Z)-but-2-enylidene]-ethyl-methylazanium |
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| PubChem CID | 89324383 |
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| Molecular Formula | C7H14N+ |
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| Molecular Weight | 112.20 g/mol |
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| Exact Mass | 112.11 |
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| IUPAC Name | [(Z)-but-2-enylidene]-ethyl-methylazanium |
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| SMILES | C/C=C\C=[N+](/C)CC |
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| InChI | InChI=1S/C7H14N/c1-4-6-7-8(3)5-2/h4,6-7H,5H2,1-3H3/q+1/b6-4-,8-7+ |
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| InChIKey | FCNLMUNPSNLOQA-IQTBQJLQSA-N |
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| XLogP | 1.30 |
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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 | 2 |
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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 |
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| MW ≤ 500 | 112.20 |
| LogP ≤ 5 | 1.30 |
| 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)-but-2-enylidene]-ethyl-methylazanium?
The IUPAC name of [(Z)-but-2-enylidene]-ethyl-methylazanium (CID 89324383) is [(Z)-but-2-enylidene]-ethyl-methylazanium.
What is the SMILES notation for [(Z)-but-2-enylidene]-ethyl-methylazanium?
The canonical SMILES for [(Z)-but-2-enylidene]-ethyl-methylazanium is C/C=C\C=[N+](/C)CC.
What is the InChIKey of [(Z)-but-2-enylidene]-ethyl-methylazanium?
The InChIKey is FCNLMUNPSNLOQA-IQTBQJLQSA-N. The full InChI is InChI=1S/C7H14N/c1-4-6-7-8(3)5-2/h4,6-7H,5H2,1-3H3/q+1/b6-4-,8-7+.
What are the key properties of [(Z)-but-2-enylidene]-ethyl-methylazanium?
[(Z)-but-2-enylidene]-ethyl-methylazanium has a molecular weight of 112.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-but-2-enylidene]-ethyl-methylazanium is sourced from PubChem (CID 89324383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).