tricyclo[4.1.0.01,3]hept-2-ene

C7H8 — CID 147568479

IUPACtricyclo[4.1.0.01,3]hept-2-ene
SMILESC1=C2CCC3CC123
InChIInChI=1S/C7H8/c1-2-6-4-7(6)3-5(1)7/h3,6H,1-2,4H2
InChIKeyFUAUDTMDXORGTD-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.73
Rot. Bonds

About tricyclo[4.1.0.01,3]hept-2-ene

tricyclo[4.1.0.01,3]hept-2-ene (PubChem CID 147568479) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is tricyclo[4.1.0.01,3]hept-2-ene.

Molecular Properties

Compound Nametricyclo[4.1.0.01,3]hept-2-ene
PubChem CID147568479
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Nametricyclo[4.1.0.01,3]hept-2-ene
SMILESC1=C2CCC3CC123
InChIInChI=1S/C7H8/c1-2-6-4-7(6)3-5(1)7/h3,6H,1-2,4H2
InChIKeyFUAUDTMDXORGTD-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[4.1.0.01,3]hept-2-ene?
The IUPAC name of tricyclo[4.1.0.01,3]hept-2-ene (CID 147568479) is tricyclo[4.1.0.01,3]hept-2-ene.
What is the SMILES notation for tricyclo[4.1.0.01,3]hept-2-ene?
The canonical SMILES for tricyclo[4.1.0.01,3]hept-2-ene is C1=C2CCC3CC123.
What is the InChIKey of tricyclo[4.1.0.01,3]hept-2-ene?
The InChIKey is FUAUDTMDXORGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-2-6-4-7(6)3-5(1)7/h3,6H,1-2,4H2.
What are the key properties of tricyclo[4.1.0.01,3]hept-2-ene?
tricyclo[4.1.0.01,3]hept-2-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[4.1.0.01,3]hept-2-ene is sourced from PubChem (CID 147568479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).