tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione

C11H12O2 — CID 13070254

IUPACtricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione
SMILESO=C1CCC(=O)C2=C1C1CCC2C1
InChIInChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h6-7H,1-5H2
InChIKeyQAXGRBAPYLOMRY-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.64
Rot. Bonds

About tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione

tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione (PubChem CID 13070254) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione.

Molecular Properties

Compound Nametricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione
PubChem CID13070254
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Nametricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione
SMILESO=C1CCC(=O)C2=C1C1CCC2C1
InChIInChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h6-7H,1-5H2
InChIKeyQAXGRBAPYLOMRY-UHFFFAOYSA-N
XLogP1.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tricyclo[8.2.1.14,7]tetradecane-5,6,11,12-tetrone
CID 139469180
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dione
CID 68535573
tricyclo[9.2.1.14,7]pentadecane-5,6,12,13-tetrone
CID 155116648
(1R,7S)-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
CID 57196131
(1S,7R)-bicyclo[5.2.1]decane-2,6-dione
CID 10964881
bicyclo[5.2.1]decane-2,6-dione
CID 13115377
4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-2(6)-ene-3,5-dione
CID 18347836
bicyclo[1.1.1]pentan-2-one
CID 13356641
(1S,5S)-3-oxabicyclo[3.2.1]octane-2,4-dione
CID 98047957
bicyclo[3.3.1]nonane-2,3,4-trione
CID 91546154
(1S,3R,6S,8R)-tetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
CID 12649555
(1S,3E,4S)-3-ethylidenebicyclo[2.2.1]heptan-2-one
CID 98512036

Frequently Asked Questions

What is the IUPAC name of tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione?
The IUPAC name of tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione (CID 13070254) is tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione.
What is the SMILES notation for tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione?
The canonical SMILES for tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione is O=C1CCC(=O)C2=C1C1CCC2C1.
What is the InChIKey of tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione?
The InChIKey is QAXGRBAPYLOMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h6-7H,1-5H2.
What are the key properties of tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione?
tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione has a molecular weight of 176.21 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione is sourced from PubChem (CID 13070254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).