spiro[3.4]oct-6-ene-1,3-dione

C8H8O2 — CID 55296259

IUPACspiro[3.4]oct-6-ene-1,3-dione
SMILESO=C1CC(=O)C12CC=CC2
InChIInChI=1S/C8H8O2/c9-6-5-7(10)8(6)3-1-2-4-8/h1-2H,3-5H2
InChIKeyHRKYOYVXQCIQNR-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.86
Rot. Bonds

About spiro[3.4]oct-6-ene-1,3-dione

spiro[3.4]oct-6-ene-1,3-dione (PubChem CID 55296259) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is spiro[3.4]oct-6-ene-1,3-dione.

Molecular Properties

Compound Namespiro[3.4]oct-6-ene-1,3-dione
PubChem CID55296259
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Namespiro[3.4]oct-6-ene-1,3-dione
SMILESO=C1CC(=O)C12CC=CC2
InChIInChI=1S/C8H8O2/c9-6-5-7(10)8(6)3-1-2-4-8/h1-2H,3-5H2
InChIKeyHRKYOYVXQCIQNR-UHFFFAOYSA-N
XLogP0.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze spiro[3.4]oct-6-ene-1,3-dione 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 spiro[3.4]oct-6-ene-1,3-dione?
The IUPAC name of spiro[3.4]oct-6-ene-1,3-dione (CID 55296259) is spiro[3.4]oct-6-ene-1,3-dione.
What is the SMILES notation for spiro[3.4]oct-6-ene-1,3-dione?
The canonical SMILES for spiro[3.4]oct-6-ene-1,3-dione is O=C1CC(=O)C12CC=CC2.
What is the InChIKey of spiro[3.4]oct-6-ene-1,3-dione?
The InChIKey is HRKYOYVXQCIQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c9-6-5-7(10)8(6)3-1-2-4-8/h1-2H,3-5H2.
What are the key properties of spiro[3.4]oct-6-ene-1,3-dione?
spiro[3.4]oct-6-ene-1,3-dione has a molecular weight of 136.15 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3.4]oct-6-ene-1,3-dione is sourced from PubChem (CID 55296259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).