About 3-[2-(oxolan-3-ylidene)propyl]morpholine
3-[2-(oxolan-3-ylidene)propyl]morpholine (PubChem CID 104855445) has the molecular formula C11H19NO2
and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[2-(oxolan-3-ylidene)propyl]morpholine.
Molecular Properties
| Compound Name | 3-[2-(oxolan-3-ylidene)propyl]morpholine |
| PubChem CID | 104855445 |
| Molecular Formula | C11H19NO2 |
| Molecular Weight | 197.28 g/mol |
| Exact Mass | 197.14 |
| IUPAC Name | 3-[2-(oxolan-3-ylidene)propyl]morpholine |
| SMILES | CC(CC1COCCN1)=C1CCOC1 |
| InChI | InChI=1S/C11H19NO2/c1-9(10-2-4-13-7-10)6-11-8-14-5-3-12-11/h11-12H,2-8H2,1H3 |
| InChIKey | HHGJFGWOZLEWEI-UHFFFAOYSA-N |
| XLogP | 1.10 |
| TPSA | 30.49 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 197.28 |
| LogP ≤ 5 | 1.10 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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-[2-(oxolan-3-ylidene)propyl]morpholine?
The IUPAC name of 3-[2-(oxolan-3-ylidene)propyl]morpholine (CID 104855445) is 3-[2-(oxolan-3-ylidene)propyl]morpholine.
What is the SMILES notation for 3-[2-(oxolan-3-ylidene)propyl]morpholine?
The canonical SMILES for 3-[2-(oxolan-3-ylidene)propyl]morpholine is CC(CC1COCCN1)=C1CCOC1.
What is the InChIKey of 3-[2-(oxolan-3-ylidene)propyl]morpholine?
The InChIKey is HHGJFGWOZLEWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(10-2-4-13-7-10)6-11-8-14-5-3-12-11/h11-12H,2-8H2,1H3.
What are the key properties of 3-[2-(oxolan-3-ylidene)propyl]morpholine?
3-[2-(oxolan-3-ylidene)propyl]morpholine has a molecular weight of 197.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-3-ylidene)propyl]morpholine is sourced from PubChem (CID 104855445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).