About N'-[(E)-but-2-en-2-yl]methanimidamide
N'-[(E)-but-2-en-2-yl]methanimidamide (PubChem CID 123223084) has the molecular formula C5H10N2
and a molecular weight of 98.15 g/mol. Its IUPAC name is N'-[(E)-but-2-en-2-yl]methanimidamide.
Molecular Properties
| Compound Name | N'-[(E)-but-2-en-2-yl]methanimidamide |
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| PubChem CID | 123223084 |
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| Molecular Formula | C5H10N2 |
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| Molecular Weight | 98.15 g/mol |
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| Exact Mass | 98.08 |
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| IUPAC Name | N'-[(E)-but-2-en-2-yl]methanimidamide |
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| SMILES | C/C=C(C)/N=C/N |
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| InChI | InChI=1S/C5H10N2/c1-3-5(2)7-4-6/h3-4H,1-2H3,(H2,6,7)/b5-3+ |
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| InChIKey | MJKPRSUXOAIASR-HWKANZROSA-N |
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| XLogP | 0.90 |
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| TPSA | 38.38 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 1 |
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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 | 98.15 |
| LogP ≤ 5 | 0.90 |
| H-Bond Donors ≤ 5 | 1 |
| 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'-[(E)-but-2-en-2-yl]methanimidamide?
The IUPAC name of N'-[(E)-but-2-en-2-yl]methanimidamide (CID 123223084) is N'-[(E)-but-2-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[(E)-but-2-en-2-yl]methanimidamide?
The canonical SMILES for N'-[(E)-but-2-en-2-yl]methanimidamide is C/C=C(C)/N=C/N.
What is the InChIKey of N'-[(E)-but-2-en-2-yl]methanimidamide?
The InChIKey is MJKPRSUXOAIASR-HWKANZROSA-N. The full InChI is InChI=1S/C5H10N2/c1-3-5(2)7-4-6/h3-4H,1-2H3,(H2,6,7)/b5-3+.
What are the key properties of N'-[(E)-but-2-en-2-yl]methanimidamide?
N'-[(E)-but-2-en-2-yl]methanimidamide has a molecular weight of 98.15 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-but-2-en-2-yl]methanimidamide is sourced from PubChem (CID 123223084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).