About 6-methylidenebicyclo[3.2.0]hept-2-ene
6-methylidenebicyclo[3.2.0]hept-2-ene (PubChem CID 561488) has the molecular formula C8H10
and a molecular weight of 106.17 g/mol. Its IUPAC name is 6-methylidenebicyclo[3.2.0]hept-2-ene.
Molecular Properties
| Compound Name | 6-methylidenebicyclo[3.2.0]hept-2-ene |
| PubChem CID | 561488 |
| Molecular Formula | C8H10 |
| Molecular Weight | 106.17 g/mol |
| Exact Mass | 106.08 |
| IUPAC Name | 6-methylidenebicyclo[3.2.0]hept-2-ene |
| SMILES | C=C1CC2C=CCC12 |
| InChI | InChI=1S/C8H10/c1-6-5-7-3-2-4-8(6)7/h2-3,7-8H,1,4-5H2 |
| InChIKey | QBFFEWHFDJREJM-UHFFFAOYSA-N |
| XLogP | 2.14 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | |
| Heavy Atoms | 8 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 106.17 |
| LogP ≤ 5 | 2.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 6-methylidenebicyclo[3.2.0]hept-2-ene?
The IUPAC name of 6-methylidenebicyclo[3.2.0]hept-2-ene (CID 561488) is 6-methylidenebicyclo[3.2.0]hept-2-ene.
What is the SMILES notation for 6-methylidenebicyclo[3.2.0]hept-2-ene?
The canonical SMILES for 6-methylidenebicyclo[3.2.0]hept-2-ene is C=C1CC2C=CCC12.
What is the InChIKey of 6-methylidenebicyclo[3.2.0]hept-2-ene?
The InChIKey is QBFFEWHFDJREJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-6-5-7-3-2-4-8(6)7/h2-3,7-8H,1,4-5H2.
What are the key properties of 6-methylidenebicyclo[3.2.0]hept-2-ene?
6-methylidenebicyclo[3.2.0]hept-2-ene has a molecular weight of 106.17 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidenebicyclo[3.2.0]hept-2-ene is sourced from PubChem (CID 561488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).