About 2-methylbicyclo[3.3.1]nona-2,6-diene
2-methylbicyclo[3.3.1]nona-2,6-diene (PubChem CID 78155727) has the molecular formula C10H14
and a molecular weight of 134.22 g/mol. Its IUPAC name is 2-methylbicyclo[3.3.1]nona-2,6-diene.
Molecular Properties
| Compound Name | 2-methylbicyclo[3.3.1]nona-2,6-diene |
|---|
| PubChem CID | 78155727 |
|---|
| Molecular Formula | C10H14 |
|---|
| Molecular Weight | 134.22 g/mol |
|---|
| Exact Mass | 134.11 |
|---|
| IUPAC Name | 2-methylbicyclo[3.3.1]nona-2,6-diene |
|---|
| SMILES | CC1=CCC2C=CCC1C2 |
|---|
| InChI | InChI=1S/C10H14/c1-8-5-6-9-3-2-4-10(8)7-9/h2-3,5,9-10H,4,6-7H2,1H3 |
|---|
| InChIKey | FZUSLCULPIFDAF-UHFFFAOYSA-N |
|---|
| XLogP | 2.92 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 134.22 |
| LogP ≤ 5 | 2.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Analyze 2-methylbicyclo[3.3.1]nona-2,6-diene 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 2-methylbicyclo[3.3.1]nona-2,6-diene?
The IUPAC name of 2-methylbicyclo[3.3.1]nona-2,6-diene (CID 78155727) is 2-methylbicyclo[3.3.1]nona-2,6-diene.
What is the SMILES notation for 2-methylbicyclo[3.3.1]nona-2,6-diene?
The canonical SMILES for 2-methylbicyclo[3.3.1]nona-2,6-diene is CC1=CCC2C=CCC1C2.
What is the InChIKey of 2-methylbicyclo[3.3.1]nona-2,6-diene?
The InChIKey is FZUSLCULPIFDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-8-5-6-9-3-2-4-10(8)7-9/h2-3,5,9-10H,4,6-7H2,1H3.
What are the key properties of 2-methylbicyclo[3.3.1]nona-2,6-diene?
2-methylbicyclo[3.3.1]nona-2,6-diene has a molecular weight of 134.22 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[3.3.1]nona-2,6-diene is sourced from PubChem (CID 78155727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).