5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one

C9H10O2 — CID 90329052

IUPAC5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one
SMILESO=C1OCC2CC3=CC2C1C3
InChIInChI=1S/C9H10O2/c10-9-8-3-5-1-6(4-11-9)7(8)2-5/h2,6-8H,1,3-4H2
InChIKeyCHUQEAUSDRUGJL-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.13
Rot. Bonds

About 5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one

5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one (PubChem CID 90329052) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one.

Molecular Properties

Compound Name5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one
PubChem CID90329052
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one
SMILESO=C1OCC2CC3=CC2C1C3
InChIInChI=1S/C9H10O2/c10-9-8-3-5-1-6(4-11-9)7(8)2-5/h2,6-8H,1,3-4H2
InChIKeyCHUQEAUSDRUGJL-UHFFFAOYSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one 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 5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one?
The IUPAC name of 5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one (CID 90329052) is 5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one.
What is the SMILES notation for 5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one?
The canonical SMILES for 5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one is O=C1OCC2CC3=CC2C1C3.
What is the InChIKey of 5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one?
The InChIKey is CHUQEAUSDRUGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-9-8-3-5-1-6(4-11-9)7(8)2-5/h2,6-8H,1,3-4H2.
What are the key properties of 5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one?
5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one has a molecular weight of 150.18 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxatricyclo[5.2.1.03,8]dec-1(9)-en-4-one is sourced from PubChem (CID 90329052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).