tricyclo[4.1.0.02,4]hept-1(7)-ene

C7H8 — CID 149277944

IUPACtricyclo[4.1.0.02,4]hept-1(7)-ene
SMILESC1=C2C1CC1CC21
InChIInChI=1S/C7H8/c1-4-2-6(4)7-3-5(1)7/h2,4-5,7H,1,3H2
InChIKeyXSJPOXLRMWUUSJ-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.58
Rot. Bonds

About tricyclo[4.1.0.02,4]hept-1(7)-ene

tricyclo[4.1.0.02,4]hept-1(7)-ene (PubChem CID 149277944) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is tricyclo[4.1.0.02,4]hept-1(7)-ene.

Molecular Properties

Compound Nametricyclo[4.1.0.02,4]hept-1(7)-ene
PubChem CID149277944
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Nametricyclo[4.1.0.02,4]hept-1(7)-ene
SMILESC1=C2C1CC1CC21
InChIInChI=1S/C7H8/c1-4-2-6(4)7-3-5(1)7/h2,4-5,7H,1,3H2
InChIKeyXSJPOXLRMWUUSJ-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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Related Compounds

6-Methylidenetricyclo[3.2.1.02,7]oct-3-ene
CID 12120950
Tetrahydromethanoindane
CID 20258143
Tricyclo[4.1.0.02,7]hept-2-ene
CID 13446844
Tricyclo[4.1.0.02,4]hept-1(6)-ene
CID 123390029
3-Prop-1-enylbicyclo[3.1.0]hexane
CID 123941949
(3Z)-3-ethylidene-2-methylbicyclo[3.1.0]hexane
CID 147109559
(5S)-tricyclo[3.1.1.02,4]hept-1(6)-ene
CID 147481647
Tricyclo[4.1.0.01,3]hept-2-ene
CID 147568479
Tricyclo[3.1.1.02,4]hept-1(6)-ene
CID 153664032
Tricyclo[4.1.0.02,4]hept-4-ene
CID 154474599
3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane
CID 154516435
Tricyclo[3.2.0.02,7]hept-6-ene
CID 154523718

Frequently Asked Questions

What is the IUPAC name of tricyclo[4.1.0.02,4]hept-1(7)-ene?
The IUPAC name of tricyclo[4.1.0.02,4]hept-1(7)-ene (CID 149277944) is tricyclo[4.1.0.02,4]hept-1(7)-ene.
What is the SMILES notation for tricyclo[4.1.0.02,4]hept-1(7)-ene?
The canonical SMILES for tricyclo[4.1.0.02,4]hept-1(7)-ene is C1=C2C1CC1CC21.
What is the InChIKey of tricyclo[4.1.0.02,4]hept-1(7)-ene?
The InChIKey is XSJPOXLRMWUUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-4-2-6(4)7-3-5(1)7/h2,4-5,7H,1,3H2.
What are the key properties of tricyclo[4.1.0.02,4]hept-1(7)-ene?
tricyclo[4.1.0.02,4]hept-1(7)-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[4.1.0.02,4]hept-1(7)-ene is sourced from PubChem (CID 149277944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).