About 3-ethenyl-2-ethylmorpholine
3-ethenyl-2-ethylmorpholine (PubChem CID 123930146) has the molecular formula C8H15NO
and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-ethenyl-2-ethylmorpholine.
Molecular Properties
| Compound Name | 3-ethenyl-2-ethylmorpholine |
| PubChem CID | 123930146 |
| Molecular Formula | C8H15NO |
| Molecular Weight | 141.21 g/mol |
| Exact Mass | 141.12 |
| IUPAC Name | 3-ethenyl-2-ethylmorpholine |
| SMILES | C=CC1NCCOC1CC |
| InChI | InChI=1S/C8H15NO/c1-3-7-8(4-2)10-6-5-9-7/h3,7-9H,1,4-6H2,2H3 |
| InChIKey | KOEGLSDVBOUVES-UHFFFAOYSA-N |
| XLogP | 0.94 |
| TPSA | 21.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 10 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 141.21 |
| LogP ≤ 5 | 0.94 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-ethenyl-2-ethylmorpholine?
The IUPAC name of 3-ethenyl-2-ethylmorpholine (CID 123930146) is 3-ethenyl-2-ethylmorpholine.
What is the SMILES notation for 3-ethenyl-2-ethylmorpholine?
The canonical SMILES for 3-ethenyl-2-ethylmorpholine is C=CC1NCCOC1CC.
What is the InChIKey of 3-ethenyl-2-ethylmorpholine?
The InChIKey is KOEGLSDVBOUVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-7-8(4-2)10-6-5-9-7/h3,7-9H,1,4-6H2,2H3.
What are the key properties of 3-ethenyl-2-ethylmorpholine?
3-ethenyl-2-ethylmorpholine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-ethylmorpholine is sourced from PubChem (CID 123930146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).