tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one

C13H10O — CID 101227628

IUPACtricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one
SMILESO=C1C2C=CC=CC1c1ccccc12
InChIInChI=1S/C13H10O/c14-13-11-7-3-4-8-12(13)10-6-2-1-5-9(10)11/h1-8,11-12H
InChIKeyIWBKANUXLBKVII-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.56
Rot. Bonds

About tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one

tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one (PubChem CID 101227628) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one.

Molecular Properties

Compound Nametricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one
PubChem CID101227628
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Nametricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one
SMILESO=C1C2C=CC=CC1c1ccccc12
InChIInChI=1S/C13H10O/c14-13-11-7-3-4-8-12(13)10-6-2-1-5-9(10)11/h1-8,11-12H
InChIKeyIWBKANUXLBKVII-UHFFFAOYSA-N
XLogP2.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene
CID 95564771
(2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione
CID 99943945
6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one
CID 169094136
6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione
CID 173008157
heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene
CID 140797975
(1R,10R)-11-azatricyclo[8.2.2.02,7]tetradeca-2,4,6,8,13-pentaen-12-one
CID 98554052
[6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone
CID 91802156
8-oxatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 87081194
11-hydroxy-10-azatricyclo[6.3.2.02,7]trideca-2,4,6,12-tetraen-9-one
CID 121002695
nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione
CID 139088210
4,4-diphenyl-8bH-cyclopenta[b][1]benzosilole
CID 137296078
2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde
CID 154426433

Frequently Asked Questions

What is the IUPAC name of tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one?
The IUPAC name of tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one (CID 101227628) is tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one.
What is the SMILES notation for tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one?
The canonical SMILES for tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one is O=C1C2C=CC=CC1c1ccccc12.
What is the InChIKey of tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one?
The InChIKey is IWBKANUXLBKVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O/c14-13-11-7-3-4-8-12(13)10-6-2-1-5-9(10)11/h1-8,11-12H.
What are the key properties of tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one?
tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one has a molecular weight of 182.22 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one is sourced from PubChem (CID 101227628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).