tricyclo[2.2.1.01,3]hept-4(7)-ene

C7H8 — CID 148500550

IUPACtricyclo[2.2.1.01,3]hept-4(7)-ene
SMILESC1=C2CCC13CC23
InChIInChI=1S/C7H8/c1-2-7-3-5(1)6(7)4-7/h3,6H,1-2,4H2
InChIKeyMKOHEYCXZHOWOJ-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.73
Rot. Bonds

About tricyclo[2.2.1.01,3]hept-4(7)-ene

tricyclo[2.2.1.01,3]hept-4(7)-ene (PubChem CID 148500550) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is tricyclo[2.2.1.01,3]hept-4(7)-ene.

Molecular Properties

Compound Nametricyclo[2.2.1.01,3]hept-4(7)-ene
PubChem CID148500550
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Nametricyclo[2.2.1.01,3]hept-4(7)-ene
SMILESC1=C2CCC13CC23
InChIInChI=1S/C7H8/c1-2-7-3-5(1)6(7)4-7/h3,6H,1-2,4H2
InChIKeyMKOHEYCXZHOWOJ-UHFFFAOYSA-N
XLogP1.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 51.73
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 tricyclo[2.2.1.01,3]hept-4(7)-ene?
The IUPAC name of tricyclo[2.2.1.01,3]hept-4(7)-ene (CID 148500550) is tricyclo[2.2.1.01,3]hept-4(7)-ene.
What is the SMILES notation for tricyclo[2.2.1.01,3]hept-4(7)-ene?
The canonical SMILES for tricyclo[2.2.1.01,3]hept-4(7)-ene is C1=C2CCC13CC23.
What is the InChIKey of tricyclo[2.2.1.01,3]hept-4(7)-ene?
The InChIKey is MKOHEYCXZHOWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-2-7-3-5(1)6(7)4-7/h3,6H,1-2,4H2.
What are the key properties of tricyclo[2.2.1.01,3]hept-4(7)-ene?
tricyclo[2.2.1.01,3]hept-4(7)-ene has a molecular weight of 92.14 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[2.2.1.01,3]hept-4(7)-ene is sourced from PubChem (CID 148500550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).