7-methylbicyclo[2.2.1]hept-1(7)-ene

C8H12 — CID 56997517

IUPAC7-methylbicyclo[2.2.1]hept-1(7)-ene
SMILESCC1=C2CCC1CC2
InChIInChI=1S/C8H12/c1-6-7-2-3-8(6)5-4-7/h7H,2-5H2,1H3
InChIKeyZRSFAPDDSVCRPV-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.51
Rot. Bonds

About 7-methylbicyclo[2.2.1]hept-1(7)-ene

7-methylbicyclo[2.2.1]hept-1(7)-ene (PubChem CID 56997517) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 7-methylbicyclo[2.2.1]hept-1(7)-ene.

Molecular Properties

Compound Name7-methylbicyclo[2.2.1]hept-1(7)-ene
PubChem CID56997517
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name7-methylbicyclo[2.2.1]hept-1(7)-ene
SMILESCC1=C2CCC1CC2
InChIInChI=1S/C8H12/c1-6-7-2-3-8(6)5-4-7/h7H,2-5H2,1H3
InChIKeyZRSFAPDDSVCRPV-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.51
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 7-methylbicyclo[2.2.1]hept-1(7)-ene?
The IUPAC name of 7-methylbicyclo[2.2.1]hept-1(7)-ene (CID 56997517) is 7-methylbicyclo[2.2.1]hept-1(7)-ene.
What is the SMILES notation for 7-methylbicyclo[2.2.1]hept-1(7)-ene?
The canonical SMILES for 7-methylbicyclo[2.2.1]hept-1(7)-ene is CC1=C2CCC1CC2.
What is the InChIKey of 7-methylbicyclo[2.2.1]hept-1(7)-ene?
The InChIKey is ZRSFAPDDSVCRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-6-7-2-3-8(6)5-4-7/h7H,2-5H2,1H3.
What are the key properties of 7-methylbicyclo[2.2.1]hept-1(7)-ene?
7-methylbicyclo[2.2.1]hept-1(7)-ene has a molecular weight of 108.18 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylbicyclo[2.2.1]hept-1(7)-ene is sourced from PubChem (CID 56997517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).