tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one

C11H10O — CID 24972989

IUPACtricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one
SMILESO=C1CC2CCc3cccc1c32
InChIInChI=1S/C11H10O/c12-10-6-8-5-4-7-2-1-3-9(10)11(7)8/h1-3,8H,4-6H2
InChIKeyQFSGONQWPYGZFS-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.30
Rot. Bonds

About tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one

tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one (PubChem CID 24972989) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one.

Molecular Properties

Compound Nametricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one
PubChem CID24972989
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Nametricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one
SMILESO=C1CC2CCc3cccc1c32
InChIInChI=1S/C11H10O/c12-10-6-8-5-4-7-2-1-3-9(10)11(7)8/h1-3,8H,4-6H2
InChIKeyQFSGONQWPYGZFS-UHFFFAOYSA-N
XLogP2.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one?
The IUPAC name of tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one (CID 24972989) is tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one.
What is the SMILES notation for tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one?
The canonical SMILES for tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one is O=C1CC2CCc3cccc1c32.
What is the InChIKey of tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one?
The InChIKey is QFSGONQWPYGZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c12-10-6-8-5-4-7-2-1-3-9(10)11(7)8/h1-3,8H,4-6H2.
What are the key properties of tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one?
tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one has a molecular weight of 158.20 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one is sourced from PubChem (CID 24972989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).