4-ethylidenebicyclo[3.2.0]hepta-2,6-diene

C9H10 — CID 57022662

IUPAC4-ethylidenebicyclo[3.2.0]hepta-2,6-diene
SMILESCC=C1C=CC2C=CC12
InChIInChI=1S/C9H10/c1-2-7-3-4-8-5-6-9(7)8/h2-6,8-9H,1H3
InChIKeyMGVUWNIGWMIWOD-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.30
Rot. Bonds

About 4-ethylidenebicyclo[3.2.0]hepta-2,6-diene

4-ethylidenebicyclo[3.2.0]hepta-2,6-diene (PubChem CID 57022662) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is 4-ethylidenebicyclo[3.2.0]hepta-2,6-diene.

Molecular Properties

Compound Name4-ethylidenebicyclo[3.2.0]hepta-2,6-diene
PubChem CID57022662
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name4-ethylidenebicyclo[3.2.0]hepta-2,6-diene
SMILESCC=C1C=CC2C=CC12
InChIInChI=1S/C9H10/c1-2-7-3-4-8-5-6-9(7)8/h2-6,8-9H,1H3
InChIKeyMGVUWNIGWMIWOD-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 4-ethylidenebicyclo[3.2.0]hepta-2,6-diene?
The IUPAC name of 4-ethylidenebicyclo[3.2.0]hepta-2,6-diene (CID 57022662) is 4-ethylidenebicyclo[3.2.0]hepta-2,6-diene.
What is the SMILES notation for 4-ethylidenebicyclo[3.2.0]hepta-2,6-diene?
The canonical SMILES for 4-ethylidenebicyclo[3.2.0]hepta-2,6-diene is CC=C1C=CC2C=CC12.
What is the InChIKey of 4-ethylidenebicyclo[3.2.0]hepta-2,6-diene?
The InChIKey is MGVUWNIGWMIWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-2-7-3-4-8-5-6-9(7)8/h2-6,8-9H,1H3.
What are the key properties of 4-ethylidenebicyclo[3.2.0]hepta-2,6-diene?
4-ethylidenebicyclo[3.2.0]hepta-2,6-diene has a molecular weight of 118.18 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidenebicyclo[3.2.0]hepta-2,6-diene is sourced from PubChem (CID 57022662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).