tricyclo[2.2.1.02,6]hept-3-ene

C7H8 — CID 12705526

IUPACtricyclo[2.2.1.02,6]hept-3-ene
SMILESC1=C2CC3C1C3C2
InChIInChI=1S/C7H8/c1-4-2-6-5(1)7(6)3-4/h1,5-7H,2-3H2
InChIKeyUZPBTTKJBMVENX-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.58
Rot. Bonds

About tricyclo[2.2.1.02,6]hept-3-ene

tricyclo[2.2.1.02,6]hept-3-ene (PubChem CID 12705526) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is tricyclo[2.2.1.02,6]hept-3-ene.

Molecular Properties

Compound Nametricyclo[2.2.1.02,6]hept-3-ene
PubChem CID12705526
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Nametricyclo[2.2.1.02,6]hept-3-ene
SMILESC1=C2CC3C1C3C2
InChIInChI=1S/C7H8/c1-4-2-6-5(1)7(6)3-4/h1,5-7H,2-3H2
InChIKeyUZPBTTKJBMVENX-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

tetracyclo[4.4.0.02,4.07,9]dec-4-ene
CID 163437767
5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one
CID 90329052
(1R,4R,5S,8S,9S,12R)-tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-2,7-dione
CID 98557587
5,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,10-diene
CID 54410227
3,5-difluorocyclohex-2-en-1-ol
CID 167229197
3,7-dimethylbicyclo[3.3.1]non-1-ene
CID 123750976
3-hydroxy-5-oxocyclopentene-1-carboxylic acid
CID 19777476
4-bromotricyclo[5.2.1.02,6]deca-3,8-diene
CID 68937024
3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene
CID 141000803
3-butylbicyclo[2.1.1]hex-1(5)-ene
CID 163677365
3-(2-hydroxycyclopentyl)cyclobutane-1,2-diol
CID 67220416
5-chloro-6-cyclopropyl-2-methylcyclohexa-1,3-diene
CID 123945513

Frequently Asked Questions

What is the IUPAC name of tricyclo[2.2.1.02,6]hept-3-ene?
The IUPAC name of tricyclo[2.2.1.02,6]hept-3-ene (CID 12705526) is tricyclo[2.2.1.02,6]hept-3-ene.
What is the SMILES notation for tricyclo[2.2.1.02,6]hept-3-ene?
The canonical SMILES for tricyclo[2.2.1.02,6]hept-3-ene is C1=C2CC3C1C3C2.
What is the InChIKey of tricyclo[2.2.1.02,6]hept-3-ene?
The InChIKey is UZPBTTKJBMVENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-4-2-6-5(1)7(6)3-4/h1,5-7H,2-3H2.
What are the key properties of tricyclo[2.2.1.02,6]hept-3-ene?
tricyclo[2.2.1.02,6]hept-3-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[2.2.1.02,6]hept-3-ene is sourced from PubChem (CID 12705526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).