About [(1Z)-buta-1,3-dienyl]-methyl-methylideneazanium
[(1Z)-buta-1,3-dienyl]-methyl-methylideneazanium (PubChem CID 59733888) has the molecular formula C6H10N+
and a molecular weight of 96.15 g/mol. Its IUPAC name is [(1Z)-buta-1,3-dienyl]-methyl-methylideneazanium.
Molecular Properties
| Compound Name | [(1Z)-buta-1,3-dienyl]-methyl-methylideneazanium |
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| PubChem CID | 59733888 |
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| Molecular Formula | C6H10N+ |
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| Molecular Weight | 96.15 g/mol |
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| Exact Mass | 96.08 |
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| IUPAC Name | [(1Z)-buta-1,3-dienyl]-methyl-methylideneazanium |
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| SMILES | C=C/C=C\[N+](=C)C |
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| InChI | InChI=1S/C6H10N/c1-4-5-6-7(2)3/h4-6H,1-2H2,3H3/q+1/b6-5- |
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| InChIKey | DVUBTOINUULEQK-WAYWQWQTSA-N |
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| XLogP | 1.03 |
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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 | 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 | 96.15 |
| LogP ≤ 5 | 1.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(1Z)-buta-1,3-dienyl]-methyl-methylideneazanium?
The IUPAC name of [(1Z)-buta-1,3-dienyl]-methyl-methylideneazanium (CID 59733888) is [(1Z)-buta-1,3-dienyl]-methyl-methylideneazanium.
What is the SMILES notation for [(1Z)-buta-1,3-dienyl]-methyl-methylideneazanium?
The canonical SMILES for [(1Z)-buta-1,3-dienyl]-methyl-methylideneazanium is C=C/C=C\[N+](=C)C.
What is the InChIKey of [(1Z)-buta-1,3-dienyl]-methyl-methylideneazanium?
The InChIKey is DVUBTOINUULEQK-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H10N/c1-4-5-6-7(2)3/h4-6H,1-2H2,3H3/q+1/b6-5-.
What are the key properties of [(1Z)-buta-1,3-dienyl]-methyl-methylideneazanium?
[(1Z)-buta-1,3-dienyl]-methyl-methylideneazanium has a molecular weight of 96.15 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-buta-1,3-dienyl]-methyl-methylideneazanium is sourced from PubChem (CID 59733888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).