tricyclo[4.1.0.02,4]hept-1(6)-ene

C7H8 — CID 123390029

IUPACtricyclo[4.1.0.02,4]hept-1(6)-ene
SMILESC1C2=C1C1CC1C2
InChIInChI=1S/C7H8/c1-4-2-6(4)7-3-5(1)7/h4,6H,1-3H2
InChIKeyYOOOKRSRQALPCJ-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.73
Rot. Bonds

About tricyclo[4.1.0.02,4]hept-1(6)-ene

tricyclo[4.1.0.02,4]hept-1(6)-ene (PubChem CID 123390029) 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(6)-ene.

Molecular Properties

Compound Nametricyclo[4.1.0.02,4]hept-1(6)-ene
PubChem CID123390029
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Nametricyclo[4.1.0.02,4]hept-1(6)-ene
SMILESC1C2=C1C1CC1C2
InChIInChI=1S/C7H8/c1-4-2-6(4)7-3-5(1)7/h4,6H,1-3H2
InChIKeyYOOOKRSRQALPCJ-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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Related Compounds

Tricyclo[4,1,0,02,7]hept-1 (7)-ene
CID 86007305
Tricyclo[4.1.0.02,7]hept-1-ene
CID 91435442
2-Methylbicyclo[3.1.0]hex-1(5)-ene
CID 123248572
6-Methylbicyclo[3.1.0]hex-1(5)-ene
CID 123678014
(3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene
CID 147143618
1,2,3,4,5,5a,6,6a-Octahydrocyclopropa[a]indene
CID 147975806
Tricyclo[4.1.0.02,4]hept-1-ene
CID 148981974
Tricyclo[4.1.0.02,4]hept-1(7)-ene
CID 149277944
2-Cyclopropylbicyclo[3.1.0]hex-1(5)-ene
CID 153214359
Tricyclo[3.2.0.02,7]hept-1(5)-ene
CID 153993884
2,3-Dimethylbicyclo[3.1.0]hex-1-ene
CID 154515264
3-Methylbicyclo[3.1.0]hex-1(5)-ene
CID 154515662

Frequently Asked Questions

What is the IUPAC name of tricyclo[4.1.0.02,4]hept-1(6)-ene?
The IUPAC name of tricyclo[4.1.0.02,4]hept-1(6)-ene (CID 123390029) is tricyclo[4.1.0.02,4]hept-1(6)-ene.
What is the SMILES notation for tricyclo[4.1.0.02,4]hept-1(6)-ene?
The canonical SMILES for tricyclo[4.1.0.02,4]hept-1(6)-ene is C1C2=C1C1CC1C2.
What is the InChIKey of tricyclo[4.1.0.02,4]hept-1(6)-ene?
The InChIKey is YOOOKRSRQALPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-4-2-6(4)7-3-5(1)7/h4,6H,1-3H2.
What are the key properties of tricyclo[4.1.0.02,4]hept-1(6)-ene?
tricyclo[4.1.0.02,4]hept-1(6)-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[4.1.0.02,4]hept-1(6)-ene is sourced from PubChem (CID 123390029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).