tricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8,10-hexaen-12-one

C13H8O — CID 70393273

IUPACtricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8,10-hexaen-12-one
SMILESO=C1C=Cc2cc1c1ccccc1c2
InChIInChI=1S/C13H8O/c14-13-6-5-9-7-10-3-1-2-4-11(10)12(13)8-9/h1-8H
InChIKeyADHXVDURLGYAAM-UHFFFAOYSA-N
MW180.21 g/mol
LogP3.05
Rot. Bonds

About tricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8,10-hexaen-12-one

tricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8,10-hexaen-12-one (PubChem CID 70393273) has the molecular formula C13H8O and a molecular weight of 180.21 g/mol. Its IUPAC name is tricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8,10-hexaen-12-one.

Molecular Properties

Compound Nametricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8,10-hexaen-12-one
PubChem CID70393273
Molecular FormulaC13H8O
Molecular Weight180.21 g/mol
Exact Mass180.06
IUPAC Nametricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8,10-hexaen-12-one
SMILESO=C1C=Cc2cc1c1ccccc1c2
InChIInChI=1S/C13H8O/c14-13-6-5-9-7-10-3-1-2-4-11(10)12(13)8-9/h1-8H
InChIKeyADHXVDURLGYAAM-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 53.05
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-1(13),2,4,6,8,10-hexaen-12-one?
The IUPAC name of tricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8,10-hexaen-12-one (CID 70393273) is tricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8,10-hexaen-12-one.
What is the SMILES notation for tricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8,10-hexaen-12-one?
The canonical SMILES for tricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8,10-hexaen-12-one is O=C1C=Cc2cc1c1ccccc1c2.
What is the InChIKey of tricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8,10-hexaen-12-one?
The InChIKey is ADHXVDURLGYAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O/c14-13-6-5-9-7-10-3-1-2-4-11(10)12(13)8-9/h1-8H.
What are the key properties of tricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8,10-hexaen-12-one?
tricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8,10-hexaen-12-one has a molecular weight of 180.21 g/mol, XLogP of 3.05, 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-1(13),2,4,6,8,10-hexaen-12-one is sourced from PubChem (CID 70393273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).