About N-prop-1-enylmethanimine
N-prop-1-enylmethanimine (PubChem CID 20770478) has the molecular formula C4H7N
and a molecular weight of 69.11 g/mol. Its IUPAC name is N-prop-1-enylmethanimine.
Molecular Properties
| Compound Name | N-prop-1-enylmethanimine |
|---|
| PubChem CID | 20770478 |
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| Molecular Formula | C4H7N |
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| Molecular Weight | 69.11 g/mol |
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| Exact Mass | 69.06 |
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| IUPAC Name | N-prop-1-enylmethanimine |
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| SMILES | C=NC=CC |
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| InChI | InChI=1S/C4H7N/c1-3-4-5-2/h3-4H,2H2,1H3 |
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| InChIKey | RROLWTZLGGAXGR-UHFFFAOYSA-N |
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| XLogP | 1.22 |
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| TPSA | 12.36 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 5 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 69.11 |
| LogP ≤ 5 | 1.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-prop-1-enylmethanimine?
The IUPAC name of N-prop-1-enylmethanimine (CID 20770478) is N-prop-1-enylmethanimine.
What is the SMILES notation for N-prop-1-enylmethanimine?
The canonical SMILES for N-prop-1-enylmethanimine is C=NC=CC.
What is the InChIKey of N-prop-1-enylmethanimine?
The InChIKey is RROLWTZLGGAXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N/c1-3-4-5-2/h3-4H,2H2,1H3.
What are the key properties of N-prop-1-enylmethanimine?
N-prop-1-enylmethanimine has a molecular weight of 69.11 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-enylmethanimine is sourced from PubChem (CID 20770478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).