About N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide
N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide (PubChem CID 88996354) has the molecular formula C7H12N2
and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide.
Molecular Properties
| Compound Name | N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide |
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| PubChem CID | 88996354 |
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| Molecular Formula | C7H12N2 |
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| Molecular Weight | 124.19 g/mol |
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| Exact Mass | 124.10 |
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| IUPAC Name | N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide |
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| SMILES | C/C=N/C=N/C=C\CC |
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| InChI | InChI=1S/C7H12N2/c1-3-5-6-9-7-8-4-2/h4-7H,3H2,1-2H3/b6-5-,8-4+,9-7+ |
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| InChIKey | VPMXUTYPKYSIFJ-JIDSLHQUSA-N |
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| XLogP | 2.03 |
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| TPSA | 24.72 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 3 |
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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 | 124.19 |
| LogP ≤ 5 | 2.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide?
The IUPAC name of N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide (CID 88996354) is N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide.
What is the SMILES notation for N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide?
The canonical SMILES for N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide is C/C=N/C=N/C=C\CC.
What is the InChIKey of N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide?
The InChIKey is VPMXUTYPKYSIFJ-JIDSLHQUSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-6-9-7-8-4-2/h4-7H,3H2,1-2H3/b6-5-,8-4+,9-7+.
What are the key properties of N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide?
N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide is sourced from PubChem (CID 88996354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).