tricyclo[3.2.0.02,7]hept-6-ene

C7H8 — CID 154523718

IUPACtricyclo[3.2.0.02,7]hept-6-ene
SMILESC1=C2C3CCC1C23
InChIInChI=1S/C7H8/c1-2-5-6-3-4(1)7(5)6/h3-5,7H,1-2H2
InChIKeyWXORUIUIWPAMSP-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.58
Rot. Bonds

About tricyclo[3.2.0.02,7]hept-6-ene

tricyclo[3.2.0.02,7]hept-6-ene (PubChem CID 154523718) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is tricyclo[3.2.0.02,7]hept-6-ene.

Molecular Properties

Compound Nametricyclo[3.2.0.02,7]hept-6-ene
PubChem CID154523718
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Nametricyclo[3.2.0.02,7]hept-6-ene
SMILESC1=C2C3CCC1C23
InChIInChI=1S/C7H8/c1-2-5-6-3-4(1)7(5)6/h3-5,7H,1-2H2
InChIKeyWXORUIUIWPAMSP-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
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[3.2.0.02,7]hept-6-ene?
The IUPAC name of tricyclo[3.2.0.02,7]hept-6-ene (CID 154523718) is tricyclo[3.2.0.02,7]hept-6-ene.
What is the SMILES notation for tricyclo[3.2.0.02,7]hept-6-ene?
The canonical SMILES for tricyclo[3.2.0.02,7]hept-6-ene is C1=C2C3CCC1C23.
What is the InChIKey of tricyclo[3.2.0.02,7]hept-6-ene?
The InChIKey is WXORUIUIWPAMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-2-5-6-3-4(1)7(5)6/h3-5,7H,1-2H2.
What are the key properties of tricyclo[3.2.0.02,7]hept-6-ene?
tricyclo[3.2.0.02,7]hept-6-ene has a molecular weight of 92.14 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.2.0.02,7]hept-6-ene is sourced from PubChem (CID 154523718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).