tricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraen-13-one

C13H12O — CID 91353615

IUPACtricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraen-13-one
SMILESO=C1C2=CCCC1c1ccccc1C2
InChIInChI=1S/C13H12O/c14-13-10-5-3-7-12(13)11-6-2-1-4-9(11)8-10/h1-2,4-6,12H,3,7-8H2
InChIKeyUMJMSLVFNUISGG-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.62
Rot. Bonds

About tricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraen-13-one

tricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraen-13-one (PubChem CID 91353615) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is tricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraen-13-one.

Molecular Properties

Compound Nametricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraen-13-one
PubChem CID91353615
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Nametricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraen-13-one
SMILESO=C1C2=CCCC1c1ccccc1C2
InChIInChI=1S/C13H12O/c14-13-10-5-3-7-12(13)11-6-2-1-4-9(11)8-10/h1-2,4-6,12H,3,7-8H2
InChIKeyUMJMSLVFNUISGG-UHFFFAOYSA-N
XLogP2.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraen-13-one?
The IUPAC name of tricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraen-13-one (CID 91353615) is tricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraen-13-one.
What is the SMILES notation for tricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraen-13-one?
The canonical SMILES for tricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraen-13-one is O=C1C2=CCCC1c1ccccc1C2.
What is the InChIKey of tricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraen-13-one?
The InChIKey is UMJMSLVFNUISGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c14-13-10-5-3-7-12(13)11-6-2-1-4-9(11)8-10/h1-2,4-6,12H,3,7-8H2.
What are the key properties of tricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraen-13-one?
tricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraen-13-one has a molecular weight of 184.24 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[7.3.1.02,7]trideca-2,4,6,9-tetraen-13-one is sourced from PubChem (CID 91353615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).