tricyclo[4.1.0.02,7]hept-2-ene

C7H8 — CID 13446844

IUPACtricyclo[4.1.0.02,7]hept-2-ene
SMILESC1=C2C3C(CC1)C23
InChIInChI=1S/C7H8/c1-2-4-6-5(3-1)7(4)6/h2,5-7H,1,3H2
InChIKeyRMZFCESMWXAALC-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.58
Rot. Bonds

About tricyclo[4.1.0.02,7]hept-2-ene

tricyclo[4.1.0.02,7]hept-2-ene (PubChem CID 13446844) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is tricyclo[4.1.0.02,7]hept-2-ene.

Molecular Properties

Compound Nametricyclo[4.1.0.02,7]hept-2-ene
PubChem CID13446844
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Nametricyclo[4.1.0.02,7]hept-2-ene
SMILESC1=C2C3C(CC1)C23
InChIInChI=1S/C7H8/c1-2-4-6-5(3-1)7(4)6/h2,5-7H,1,3H2
InChIKeyRMZFCESMWXAALC-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
Cyclopropane, 1,1',1''-(1-ethenyl-2-ylidene)tris-
CID 141044
2-Methyl-bicyclo[3.1.0]hex-2-ene
CID 13235329
3-Methylbicyclo[3.1.0]hex-2-ene
CID 13235330
Bicyclo[4.1.0]heptene
CID 13431883
Cyclopropylcyclopropene
CID 90803956
4-Fluorotricyclo[4.1.0.02,7]hept-3-ene
CID 21723574
Tricyclo(4.1.0.02,7)hept-3-ene, 1,3-dimethyl-
CID 144150
Tricyclo[4.1.0.02,7]hept-1-ene
CID 91435442
(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
2-Cyclopropylspiro[2.2]pent-1-ene
CID 123141537

Frequently Asked Questions

What is the IUPAC name of tricyclo[4.1.0.02,7]hept-2-ene?
The IUPAC name of tricyclo[4.1.0.02,7]hept-2-ene (CID 13446844) is tricyclo[4.1.0.02,7]hept-2-ene.
What is the SMILES notation for tricyclo[4.1.0.02,7]hept-2-ene?
The canonical SMILES for tricyclo[4.1.0.02,7]hept-2-ene is C1=C2C3C(CC1)C23.
What is the InChIKey of tricyclo[4.1.0.02,7]hept-2-ene?
The InChIKey is RMZFCESMWXAALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-2-4-6-5(3-1)7(4)6/h2,5-7H,1,3H2.
What are the key properties of tricyclo[4.1.0.02,7]hept-2-ene?
tricyclo[4.1.0.02,7]hept-2-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[4.1.0.02,7]hept-2-ene is sourced from PubChem (CID 13446844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).