1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene

C9H10O2 — CID 86614311

IUPAC1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESC1=CC2OC2(CC2CO2)C=C1
InChIInChI=1S/C9H10O2/c1-2-4-9(5-7-6-10-7)8(3-1)11-9/h1-4,7-8H,5-6H2
InChIKeyIZFUYPSROUNGCE-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.04
Rot. Bonds2

About 1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene

1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 86614311) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID86614311
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESC1=CC2OC2(CC2CO2)C=C1
InChIInChI=1S/C9H10O2/c1-2-4-9(5-7-6-10-7)8(3-1)11-9/h1-4,7-8H,5-6H2
InChIKeyIZFUYPSROUNGCE-UHFFFAOYSA-N
XLogP1.04
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene 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 1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 86614311) is 1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene is C1=CC2OC2(CC2CO2)C=C1.
What is the InChIKey of 1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is IZFUYPSROUNGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-4-9(5-7-6-10-7)8(3-1)11-9/h1-4,7-8H,5-6H2.
What are the key properties of 1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 150.18 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 86614311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).