About 4-(6'-methyl-6'-phenylspiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl)morpholine
4-(6'-methyl-6'-phenylspiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl)morpholine (PubChem CID 23453654) has the molecular formula C21H26N2O
and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-(6'-methyl-6'-phenylspiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl)morpholine.
Molecular Properties
| Compound Name | 4-(6'-methyl-6'-phenylspiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl)morpholine |
|---|
| PubChem CID | 23453654 |
|---|
| Molecular Formula | C21H26N2O |
|---|
| Molecular Weight | 322.45 g/mol |
|---|
| Exact Mass | 322.20 |
|---|
| IUPAC Name | 4-(6'-methyl-6'-phenylspiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl)morpholine |
|---|
| SMILES | CC1(c2ccccc2)C2C=CC(C2)C12CCC(N1CCOCC1)=N2 |
|---|
| InChI | InChI=1S/C21H26N2O/c1-20(16-5-3-2-4-6-16)17-7-8-18(15-17)21(20)10-9-19(22-21)23-11-13-24-14-12-23/h2-8,17-18H,9-15H2,1H3 |
|---|
| InChIKey | NMMIKWUIEDKESF-UHFFFAOYSA-N |
|---|
| XLogP | 3.41 |
|---|
| TPSA | 24.83 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 1 |
|---|
| Heavy Atoms | 24 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 322.45 |
| LogP ≤ 5 | 3.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Analyze 4-(6'-methyl-6'-phenylspiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl)morpholine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 4-(6'-methyl-6'-phenylspiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl)morpholine?
The IUPAC name of 4-(6'-methyl-6'-phenylspiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl)morpholine (CID 23453654) is 4-(6'-methyl-6'-phenylspiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl)morpholine.
What is the SMILES notation for 4-(6'-methyl-6'-phenylspiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl)morpholine?
The canonical SMILES for 4-(6'-methyl-6'-phenylspiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl)morpholine is CC1(c2ccccc2)C2C=CC(C2)C12CCC(N1CCOCC1)=N2.
What is the InChIKey of 4-(6'-methyl-6'-phenylspiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl)morpholine?
The InChIKey is NMMIKWUIEDKESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-20(16-5-3-2-4-6-16)17-7-8-18(15-17)21(20)10-9-19(22-21)23-11-13-24-14-12-23/h2-8,17-18H,9-15H2,1H3.
What are the key properties of 4-(6'-methyl-6'-phenylspiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl)morpholine?
4-(6'-methyl-6'-phenylspiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl)morpholine has a molecular weight of 322.45 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6'-methyl-6'-phenylspiro[3,4-dihydropyrrole-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl)morpholine is sourced from PubChem (CID 23453654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).