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

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

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Related Compounds

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CID 23310174
7,8a-dihydroxy-1,4a,5,6,7,8-hexahydronaphthalen-2-one
CID 101415754
(7R,8R,9S,10S,13S,14S)-7,10,13-trimethyl-2,4,5,6,7,8,9,11,12,14-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 154113253
6-ethyl-1,2,2-trimethylpiperidin-4-one
CID 89297596
(1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one
CID 102121899
(1R,5S,8R)-8-[(E)-4-bromo-3-methylbut-2-enyl]-1-hydroxy-8-methylbicyclo[3.2.1]oct-3-en-2-one
CID 10891879
(1R,5S)-1-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 12936375
(1R)-1-naphthalen-1-ylbicyclo[3.1.0]hexan-3-one
CID 59779111
methane;1-methylbicyclo[3.1.0]hexan-3-one
CID 161056002
(1R,5R)-1-phenylbicyclo[3.1.0]hexan-3-one
CID 102073453
(1S,5S)-1-phenylbicyclo[3.1.0]hexan-3-one
CID 135055522
4,4-dicyclopropylcyclohex-2-en-1-one
CID 130029054

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).