2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene

C8H10O2 — CID 59720901

IUPAC2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene
SMILESC1=C(C2CO2)C2OC2CC1
InChIInChI=1S/C8H10O2/c1-2-5(7-4-9-7)8-6(3-1)10-8/h2,6-8H,1,3-4H2
InChIKeyXUJFBDQQTFXDHH-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.87
Rot. Bonds1

About 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene

2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene (PubChem CID 59720901) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene
PubChem CID59720901
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene
SMILESC1=C(C2CO2)C2OC2CC1
InChIInChI=1S/C8H10O2/c1-2-5(7-4-9-7)8-6(3-1)10-8/h2,6-8H,1,3-4H2
InChIKeyXUJFBDQQTFXDHH-UHFFFAOYSA-N
XLogP0.87
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene?
The IUPAC name of 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene (CID 59720901) is 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene?
The canonical SMILES for 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene is C1=C(C2CO2)C2OC2CC1.
What is the InChIKey of 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene?
The InChIKey is XUJFBDQQTFXDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-5(7-4-9-7)8-6(3-1)10-8/h2,6-8H,1,3-4H2.
What are the key properties of 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene?
2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene has a molecular weight of 138.17 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 59720901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).