tricyclo[6.3.0.01,5]undec-3-ene-2,10-dione

C11H12O2 — CID 11052184

IUPACtricyclo[6.3.0.01,5]undec-3-ene-2,10-dione
SMILESO=C1CC2CCC3C=CC(=O)C32C1
InChIInChI=1S/C11H12O2/c12-9-5-8-2-1-7-3-4-10(13)11(7,8)6-9/h3-4,7-8H,1-2,5-6H2
InChIKeyWGDUMRHMXHNLCL-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.50
Rot. Bonds

About tricyclo[6.3.0.01,5]undec-3-ene-2,10-dione

tricyclo[6.3.0.01,5]undec-3-ene-2,10-dione (PubChem CID 11052184) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is tricyclo[6.3.0.01,5]undec-3-ene-2,10-dione.

Molecular Properties

Compound Nametricyclo[6.3.0.01,5]undec-3-ene-2,10-dione
PubChem CID11052184
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Nametricyclo[6.3.0.01,5]undec-3-ene-2,10-dione
SMILESO=C1CC2CCC3C=CC(=O)C32C1
InChIInChI=1S/C11H12O2/c12-9-5-8-2-1-7-3-4-10(13)11(7,8)6-9/h3-4,7-8H,1-2,5-6H2
InChIKeyWGDUMRHMXHNLCL-UHFFFAOYSA-N
XLogP1.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tricyclo[6.3.0.01,5]undec-3-ene-2,10-dione?
The IUPAC name of tricyclo[6.3.0.01,5]undec-3-ene-2,10-dione (CID 11052184) is tricyclo[6.3.0.01,5]undec-3-ene-2,10-dione.
What is the SMILES notation for tricyclo[6.3.0.01,5]undec-3-ene-2,10-dione?
The canonical SMILES for tricyclo[6.3.0.01,5]undec-3-ene-2,10-dione is O=C1CC2CCC3C=CC(=O)C32C1.
What is the InChIKey of tricyclo[6.3.0.01,5]undec-3-ene-2,10-dione?
The InChIKey is WGDUMRHMXHNLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-9-5-8-2-1-7-3-4-10(13)11(7,8)6-9/h3-4,7-8H,1-2,5-6H2.
What are the key properties of tricyclo[6.3.0.01,5]undec-3-ene-2,10-dione?
tricyclo[6.3.0.01,5]undec-3-ene-2,10-dione has a molecular weight of 176.22 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.3.0.01,5]undec-3-ene-2,10-dione is sourced from PubChem (CID 11052184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).