tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one

C11H10O — CID 575764

IUPACtricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one
SMILESO=C1CC2CC1c1ccccc12
InChIInChI=1S/C11H10O/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h1-4,7,10H,5-6H2
InChIKeyMMDLBADSUSAPKF-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.23
Rot. Bonds

About tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one

tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one (PubChem CID 575764) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one.

Molecular Properties

Compound Nametricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one
PubChem CID575764
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Nametricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one
SMILESO=C1CC2CC1c1ccccc12
InChIInChI=1S/C11H10O/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h1-4,7,10H,5-6H2
InChIKeyMMDLBADSUSAPKF-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one?
The IUPAC name of tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one (CID 575764) is tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one.
What is the SMILES notation for tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one?
The canonical SMILES for tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one is O=C1CC2CC1c1ccccc12.
What is the InChIKey of tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one?
The InChIKey is MMDLBADSUSAPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h1-4,7,10H,5-6H2.
What are the key properties of tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one?
tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one has a molecular weight of 158.20 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one is sourced from PubChem (CID 575764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).