2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-3-ene

C8H10O2 — CID 59720894

IUPAC2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-3-ene
SMILESC1=CC(C2CO2)C2OC2C1
InChIInChI=1S/C8H10O2/c1-2-5(7-4-9-7)8-6(3-1)10-8/h1-2,5-8H,3-4H2
InChIKeyPKVCAADTGCUBPN-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.73
Rot. Bonds1

About 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-3-ene

2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-3-ene (PubChem CID 59720894) 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-3-ene.

Molecular Properties

Compound Name2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-3-ene
PubChem CID59720894
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-3-ene
SMILESC1=CC(C2CO2)C2OC2C1
InChIInChI=1S/C8H10O2/c1-2-5(7-4-9-7)8-6(3-1)10-8/h1-2,5-8H,3-4H2
InChIKeyPKVCAADTGCUBPN-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
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'}

Analyze 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-3-ene?
The IUPAC name of 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-3-ene (CID 59720894) is 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-3-ene?
The canonical SMILES for 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-3-ene is C1=CC(C2CO2)C2OC2C1.
What is the InChIKey of 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-3-ene?
The InChIKey is PKVCAADTGCUBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-5(7-4-9-7)8-6(3-1)10-8/h1-2,5-8H,3-4H2.
What are the key properties of 2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-3-ene?
2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-3-ene has a molecular weight of 138.17 g/mol, XLogP of 0.73, 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-3-ene is sourced from PubChem (CID 59720894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).