tricyclo[4.1.0.02,4]hept-4-ene

C7H8 — CID 154474599

IUPACtricyclo[4.1.0.02,4]hept-4-ene
SMILESC1=C2CC2C2CC12
InChIInChI=1S/C7H8/c1-4-2-6(4)7-3-5(1)7/h1,4,6-7H,2-3H2
InChIKeyODNDMIYENLEUAX-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.58
Rot. Bonds

About tricyclo[4.1.0.02,4]hept-4-ene

tricyclo[4.1.0.02,4]hept-4-ene (PubChem CID 154474599) 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-4-ene.

Molecular Properties

Compound Nametricyclo[4.1.0.02,4]hept-4-ene
PubChem CID154474599
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Nametricyclo[4.1.0.02,4]hept-4-ene
SMILESC1=C2CC2C2CC12
InChIInChI=1S/C7H8/c1-4-2-6(4)7-3-5(1)7/h1,4,6-7H,2-3H2
InChIKeyODNDMIYENLEUAX-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

Tricyclo(4.1.0.02,7)hept-3-ene
CID 142020
2-Methyl-bicyclo[3.1.0]hex-2-ene
CID 13235329
3-Methylbicyclo[3.1.0]hex-2-ene
CID 13235330
Tricyclo(4.1.0.02,7)hept-3-ene, 1,3-dimethyl-
CID 144150
Spiro[bicyclo[3.1.0]hex-2-ene-4,1'-cyclopropane]
CID 164075219
Tricyclo[4.1.0.02,7]hept-2-ene
CID 13446844
3,4-Dimethylbicyclo[3.1.0]hex-2-ene
CID 13611188
(2R,6R)-1,3-dimethyltricyclo[4.1.0.02,7]hept-3-ene
CID 59293426
(1S,2S,6S)-1,3-dimethyltricyclo[4.1.0.02,7]hept-3-ene
CID 91281974
5-Methyl-7-(5-methylhex-2-en-2-yl)tricyclo[4.1.0.02,4]hept-4-ene
CID 123377694
6-Methylbicyclo[3.1.0]hex-1-ene
CID 123868771
3-Ethyl-4-methylbicyclo[3.1.0]hex-1-ene
CID 148521668

Frequently Asked Questions

What is the IUPAC name of tricyclo[4.1.0.02,4]hept-4-ene?
The IUPAC name of tricyclo[4.1.0.02,4]hept-4-ene (CID 154474599) is tricyclo[4.1.0.02,4]hept-4-ene.
What is the SMILES notation for tricyclo[4.1.0.02,4]hept-4-ene?
The canonical SMILES for tricyclo[4.1.0.02,4]hept-4-ene is C1=C2CC2C2CC12.
What is the InChIKey of tricyclo[4.1.0.02,4]hept-4-ene?
The InChIKey is ODNDMIYENLEUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-4-2-6(4)7-3-5(1)7/h1,4,6-7H,2-3H2.
What are the key properties of tricyclo[4.1.0.02,4]hept-4-ene?
tricyclo[4.1.0.02,4]hept-4-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-4-ene is sourced from PubChem (CID 154474599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).