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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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).