7-methylbicyclo[4.1.0]hepta-2,3-diene

C8H10 — CID 163995188

IUPAC7-methylbicyclo[4.1.0]hepta-2,3-diene
SMILESCC1C2C=C=CCC12
InChIInChI=1S/C8H10/c1-6-7-4-2-3-5-8(6)7/h2,5-8H,4H2,1H3
InChIKeyUEBNXYOWYLXOMP-UHFFFAOYSA-N
MW106.17 g/mol
LogP1.98
Rot. Bonds

About 7-methylbicyclo[4.1.0]hepta-2,3-diene

7-methylbicyclo[4.1.0]hepta-2,3-diene (PubChem CID 163995188) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is 7-methylbicyclo[4.1.0]hepta-2,3-diene.

Molecular Properties

Compound Name7-methylbicyclo[4.1.0]hepta-2,3-diene
PubChem CID163995188
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name7-methylbicyclo[4.1.0]hepta-2,3-diene
SMILESCC1C2C=C=CCC12
InChIInChI=1S/C8H10/c1-6-7-4-2-3-5-8(6)7/h2,5-8H,4H2,1H3
InChIKeyUEBNXYOWYLXOMP-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-methylbicyclo[4.1.0]hepta-2,3-diene?
The IUPAC name of 7-methylbicyclo[4.1.0]hepta-2,3-diene (CID 163995188) is 7-methylbicyclo[4.1.0]hepta-2,3-diene.
What is the SMILES notation for 7-methylbicyclo[4.1.0]hepta-2,3-diene?
The canonical SMILES for 7-methylbicyclo[4.1.0]hepta-2,3-diene is CC1C2C=C=CCC12.
What is the InChIKey of 7-methylbicyclo[4.1.0]hepta-2,3-diene?
The InChIKey is UEBNXYOWYLXOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-6-7-4-2-3-5-8(6)7/h2,5-8H,4H2,1H3.
What are the key properties of 7-methylbicyclo[4.1.0]hepta-2,3-diene?
7-methylbicyclo[4.1.0]hepta-2,3-diene has a molecular weight of 106.17 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylbicyclo[4.1.0]hepta-2,3-diene is sourced from PubChem (CID 163995188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).