About N-[(Z)-but-3-en-2-ylideneamino]ethenamine
N-[(Z)-but-3-en-2-ylideneamino]ethenamine (PubChem CID 167053572) has the molecular formula C6H10N2
and a molecular weight of 110.16 g/mol. Its IUPAC name is N-[(Z)-but-3-en-2-ylideneamino]ethenamine.
Molecular Properties
| Compound Name | N-[(Z)-but-3-en-2-ylideneamino]ethenamine |
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| PubChem CID | 167053572 |
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| Molecular Formula | C6H10N2 |
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| Molecular Weight | 110.16 g/mol |
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| Exact Mass | 110.08 |
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| IUPAC Name | N-[(Z)-but-3-en-2-ylideneamino]ethenamine |
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| SMILES | C=CN/N=C(/C)C=C |
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| InChI | InChI=1S/C6H10N2/c1-4-6(3)8-7-5-2/h4-5,7H,1-2H2,3H3/b8-6- |
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| InChIKey | GENPKQMDMAUJNE-VURMDHGXSA-N |
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| XLogP | 1.28 |
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| TPSA | 24.39 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 3 |
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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 |
|---|
| MW ≤ 500 | 110.16 |
| LogP ≤ 5 | 1.28 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(Z)-but-3-en-2-ylideneamino]ethenamine?
The IUPAC name of N-[(Z)-but-3-en-2-ylideneamino]ethenamine (CID 167053572) is N-[(Z)-but-3-en-2-ylideneamino]ethenamine.
What is the SMILES notation for N-[(Z)-but-3-en-2-ylideneamino]ethenamine?
The canonical SMILES for N-[(Z)-but-3-en-2-ylideneamino]ethenamine is C=CN/N=C(/C)C=C.
What is the InChIKey of N-[(Z)-but-3-en-2-ylideneamino]ethenamine?
The InChIKey is GENPKQMDMAUJNE-VURMDHGXSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-6(3)8-7-5-2/h4-5,7H,1-2H2,3H3/b8-6-.
What are the key properties of N-[(Z)-but-3-en-2-ylideneamino]ethenamine?
N-[(Z)-but-3-en-2-ylideneamino]ethenamine has a molecular weight of 110.16 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-3-en-2-ylideneamino]ethenamine is sourced from PubChem (CID 167053572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).