About N-methylidene-N'-prop-1-enylmethanimidamide
N-methylidene-N'-prop-1-enylmethanimidamide (PubChem CID 90936387) has the molecular formula C5H8N2
and a molecular weight of 96.13 g/mol. Its IUPAC name is N-methylidene-N'-prop-1-enylmethanimidamide.
Molecular Properties
| Compound Name | N-methylidene-N'-prop-1-enylmethanimidamide |
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| PubChem CID | 90936387 |
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| Molecular Formula | C5H8N2 |
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| Molecular Weight | 96.13 g/mol |
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| Exact Mass | 96.07 |
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| IUPAC Name | N-methylidene-N'-prop-1-enylmethanimidamide |
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| SMILES | C=N/C=N/C=CC |
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| InChI | InChI=1S/C5H8N2/c1-3-4-7-5-6-2/h3-5H,2H2,1H3/b4-3?,7-5+ |
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| InChIKey | KUXJKCXVZOGRKM-LDPJEHJDSA-N |
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| XLogP | 1.25 |
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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 | 2 |
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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 | 96.13 |
| LogP ≤ 5 | 1.25 |
| 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-methylidene-N'-prop-1-enylmethanimidamide?
The IUPAC name of N-methylidene-N'-prop-1-enylmethanimidamide (CID 90936387) is N-methylidene-N'-prop-1-enylmethanimidamide.
What is the SMILES notation for N-methylidene-N'-prop-1-enylmethanimidamide?
The canonical SMILES for N-methylidene-N'-prop-1-enylmethanimidamide is C=N/C=N/C=CC.
What is the InChIKey of N-methylidene-N'-prop-1-enylmethanimidamide?
The InChIKey is KUXJKCXVZOGRKM-LDPJEHJDSA-N. The full InChI is InChI=1S/C5H8N2/c1-3-4-7-5-6-2/h3-5H,2H2,1H3/b4-3?,7-5+.
What are the key properties of N-methylidene-N'-prop-1-enylmethanimidamide?
N-methylidene-N'-prop-1-enylmethanimidamide has a molecular weight of 96.13 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-prop-1-enylmethanimidamide is sourced from PubChem (CID 90936387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).