5-methylbicyclo[2.1.0]penta-1(5),2-diene

C6H6 — CID 86017292

IUPAC5-methylbicyclo[2.1.0]penta-1(5),2-diene
SMILESCC1=C2C=CC12
InChIInChI=1S/C6H6/c1-4-5-2-3-6(4)5/h2-3,5H,1H3
InChIKeyNQVSYVXTWDLUEK-UHFFFAOYSA-N
MW78.11 g/mol
LogP1.50
Rot. Bonds

About 5-methylbicyclo[2.1.0]penta-1(5),2-diene

5-methylbicyclo[2.1.0]penta-1(5),2-diene (PubChem CID 86017292) has the molecular formula C6H6 and a molecular weight of 78.11 g/mol. Its IUPAC name is 5-methylbicyclo[2.1.0]penta-1(5),2-diene.

Molecular Properties

Compound Name5-methylbicyclo[2.1.0]penta-1(5),2-diene
PubChem CID86017292
Molecular FormulaC6H6
Molecular Weight78.11 g/mol
Exact Mass78.05
IUPAC Name5-methylbicyclo[2.1.0]penta-1(5),2-diene
SMILESCC1=C2C=CC12
InChIInChI=1S/C6H6/c1-4-5-2-3-6(4)5/h2-3,5H,1H3
InChIKeyNQVSYVXTWDLUEK-UHFFFAOYSA-N
XLogP1.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.11
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-methylbicyclo[2.1.0]penta-1(5),2-diene?
The IUPAC name of 5-methylbicyclo[2.1.0]penta-1(5),2-diene (CID 86017292) is 5-methylbicyclo[2.1.0]penta-1(5),2-diene.
What is the SMILES notation for 5-methylbicyclo[2.1.0]penta-1(5),2-diene?
The canonical SMILES for 5-methylbicyclo[2.1.0]penta-1(5),2-diene is CC1=C2C=CC12.
What is the InChIKey of 5-methylbicyclo[2.1.0]penta-1(5),2-diene?
The InChIKey is NQVSYVXTWDLUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6/c1-4-5-2-3-6(4)5/h2-3,5H,1H3.
What are the key properties of 5-methylbicyclo[2.1.0]penta-1(5),2-diene?
5-methylbicyclo[2.1.0]penta-1(5),2-diene has a molecular weight of 78.11 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbicyclo[2.1.0]penta-1(5),2-diene is sourced from PubChem (CID 86017292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).