About N-ethylidene-N'-prop-2-enylmethanimidamide
N-ethylidene-N'-prop-2-enylmethanimidamide (PubChem CID 88952463) has the molecular formula C6H10N2
and a molecular weight of 110.16 g/mol. Its IUPAC name is N-ethylidene-N'-prop-2-enylmethanimidamide.
Molecular Properties
| Compound Name | N-ethylidene-N'-prop-2-enylmethanimidamide |
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| PubChem CID | 88952463 |
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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-ethylidene-N'-prop-2-enylmethanimidamide |
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| SMILES | C=CC/N=C/N=C/C |
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| InChI | InChI=1S/C6H10N2/c1-3-5-8-6-7-4-2/h3-4,6H,1,5H2,2H3/b7-4+,8-6+ |
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| InChIKey | IHHIFGBWCGWBAG-IJYBVRAASA-N |
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| XLogP | 1.29 |
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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 | 8 |
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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 | 110.16 |
| LogP ≤ 5 | 1.29 |
| 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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-ethylidene-N'-prop-2-enylmethanimidamide?
The IUPAC name of N-ethylidene-N'-prop-2-enylmethanimidamide (CID 88952463) is N-ethylidene-N'-prop-2-enylmethanimidamide.
What is the SMILES notation for N-ethylidene-N'-prop-2-enylmethanimidamide?
The canonical SMILES for N-ethylidene-N'-prop-2-enylmethanimidamide is C=CC/N=C/N=C/C.
What is the InChIKey of N-ethylidene-N'-prop-2-enylmethanimidamide?
The InChIKey is IHHIFGBWCGWBAG-IJYBVRAASA-N. The full InChI is InChI=1S/C6H10N2/c1-3-5-8-6-7-4-2/h3-4,6H,1,5H2,2H3/b7-4+,8-6+.
What are the key properties of N-ethylidene-N'-prop-2-enylmethanimidamide?
N-ethylidene-N'-prop-2-enylmethanimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-N'-prop-2-enylmethanimidamide is sourced from PubChem (CID 88952463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).