2-methylbicyclo[2.2.1]hepta-2,5-diene

C8H10 — CID 524213

IUPAC2-methylbicyclo[2.2.1]hepta-2,5-diene
SMILESCC1=CC2C=CC1C2
InChIInChI=1S/C8H10/c1-6-4-7-2-3-8(6)5-7/h2-4,7-8H,5H2,1H3
InChIKeyOGJJVYFQXFXJKU-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.14
Rot. Bonds

About 2-methylbicyclo[2.2.1]hepta-2,5-diene

2-methylbicyclo[2.2.1]hepta-2,5-diene (PubChem CID 524213) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is 2-methylbicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2-methylbicyclo[2.2.1]hepta-2,5-diene
PubChem CID524213
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name2-methylbicyclo[2.2.1]hepta-2,5-diene
SMILESCC1=CC2C=CC1C2
InChIInChI=1S/C8H10/c1-6-4-7-2-3-8(6)5-7/h2-4,7-8H,5H2,1H3
InChIKeyOGJJVYFQXFXJKU-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.14
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 2-methylbicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2-methylbicyclo[2.2.1]hepta-2,5-diene (CID 524213) is 2-methylbicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2-methylbicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2-methylbicyclo[2.2.1]hepta-2,5-diene is CC1=CC2C=CC1C2.
What is the InChIKey of 2-methylbicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is OGJJVYFQXFXJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-6-4-7-2-3-8(6)5-7/h2-4,7-8H,5H2,1H3.
What are the key properties of 2-methylbicyclo[2.2.1]hepta-2,5-diene?
2-methylbicyclo[2.2.1]hepta-2,5-diene 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 2-methylbicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 524213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).