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

C13H14O — CID 15310272

IUPACtricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one
SMILESO=C1C2CCCC1c1ccccc1C2
InChIInChI=1S/C13H14O/c14-13-10-5-3-7-12(13)11-6-2-1-4-9(11)8-10/h1-2,4,6,10,12H,3,5,7-8H2
InChIKeyAMPAXPTYKRITIV-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.70
Rot. Bonds

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

tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one (PubChem CID 15310272) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one.

Molecular Properties

Compound Nametricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one
PubChem CID15310272
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Nametricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one
SMILESO=C1C2CCCC1c1ccccc1C2
InChIInChI=1S/C13H14O/c14-13-10-5-3-7-12(13)11-6-2-1-4-9(11)8-10/h1-2,4,6,10,12H,3,5,7-8H2
InChIKeyAMPAXPTYKRITIV-UHFFFAOYSA-N
XLogP2.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Anthraquinone
CID 6780
9,10-Phenanthrenedione
CID 6763
Anthrone
CID 7018
2-Tetralone
CID 68266
6-Acetyltetralin
CID 69885
1,1-Diphenylacetone
CID 69907
10,10-Dimethylanthrone
CID 79529
5-Methyl-1-tetralone
CID 81357
3-Phenylcyclohexanone
CID 273661
1,4,4a,9a-Tetrahydroanthraquinone
CID 92021
4-Phenylcyclohexanone
CID 78605
2,3-Dihydro-1H-phenalen-1-one
CID 602781

Frequently Asked Questions

What is the IUPAC name of tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one?
The IUPAC name of tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one (CID 15310272) is tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one.
What is the SMILES notation for tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one?
The canonical SMILES for tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one is O=C1C2CCCC1c1ccccc1C2.
What is the InChIKey of tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one?
The InChIKey is AMPAXPTYKRITIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c14-13-10-5-3-7-12(13)11-6-2-1-4-9(11)8-10/h1-2,4,6,10,12H,3,5,7-8H2.
What are the key properties of tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one?
tricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-one has a molecular weight of 186.25 g/mol, XLogP of 2.70, 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-trien-13-one is sourced from PubChem (CID 15310272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).