About 4-(dimethylamino)but-3-en-2-one;vanadium
4-(dimethylamino)but-3-en-2-one;vanadium (PubChem CID 59797241) has the molecular formula C6H10NOV-
and a molecular weight of 163.10 g/mol. Its IUPAC name is 4-(dimethylamino)but-3-en-2-one;vanadium.
Molecular Properties
| Compound Name | 4-(dimethylamino)but-3-en-2-one;vanadium |
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| PubChem CID | 59797241 |
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| Molecular Formula | C6H10NOV- |
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| Molecular Weight | 163.10 g/mol |
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| Exact Mass | 163.02 |
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| IUPAC Name | 4-(dimethylamino)but-3-en-2-one;vanadium |
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| SMILES | CC(=O)/C=[C-]/N(C)C.[V] |
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| InChI | InChI=1S/C6H10NO.V/c1-6(8)4-5-7(2)3;/h4H,1-3H3;/q-1; |
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| InChIKey | UTRXKVWQLRKYNA-UHFFFAOYSA-N |
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| XLogP | 0.45 |
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| TPSA | 20.31 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 9 |
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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 | 163.10 |
| LogP ≤ 5 | 0.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-(dimethylamino)but-3-en-2-one;vanadium?
The IUPAC name of 4-(dimethylamino)but-3-en-2-one;vanadium (CID 59797241) is 4-(dimethylamino)but-3-en-2-one;vanadium.
What is the SMILES notation for 4-(dimethylamino)but-3-en-2-one;vanadium?
The canonical SMILES for 4-(dimethylamino)but-3-en-2-one;vanadium is CC(=O)/C=[C-]/N(C)C.[V].
What is the InChIKey of 4-(dimethylamino)but-3-en-2-one;vanadium?
The InChIKey is UTRXKVWQLRKYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO.V/c1-6(8)4-5-7(2)3;/h4H,1-3H3;/q-1;.
What are the key properties of 4-(dimethylamino)but-3-en-2-one;vanadium?
4-(dimethylamino)but-3-en-2-one;vanadium has a molecular weight of 163.10 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)but-3-en-2-one;vanadium is sourced from PubChem (CID 59797241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).