tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one

C11H10O — CID 130027584

IUPACtricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one
SMILESO=C1CCC2c3ccccc3C12
InChIInChI=1S/C11H10O/c12-10-6-5-9-7-3-1-2-4-8(7)11(9)10/h1-4,9,11H,5-6H2
InChIKeyQTUVHHGDNMATQH-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.23
Rot. Bonds

About tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one

tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one (PubChem CID 130027584) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one.

Molecular Properties

Compound Nametricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one
PubChem CID130027584
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Nametricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one
SMILESO=C1CCC2c3ccccc3C12
InChIInChI=1S/C11H10O/c12-10-6-5-9-7-3-1-2-4-8(7)11(9)10/h1-4,9,11H,5-6H2
InChIKeyQTUVHHGDNMATQH-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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Related Compounds

(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
2-(2-hydroxyphenyl)cyclobutan-1-one
CID 14245733
(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
(15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene
CID 95564439
2-methyl-3-phenylcyclopentan-1-one
CID 12573116
(2S)-2-(2-chlorophenyl)cyclobutan-1-one
CID 95240660
(2R)-2-(2-fluorophenyl)cyclobutan-1-one
CID 129416043
3a,4,5,9b-tetrahydrobenzo[e][2]benzofuran-1,3-dione
CID 54561641
(1R,8R,9R,10S)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9,10-dicarboxylic acid
CID 98478382
(4aS,9aS)-2,3,4,4a,9,9a-hexahydrocarbazol-1-one
CID 98116106
(1R,8S,9R,13R)-11-oxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
CID 98519836
(1S,8R)-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9,10-dicarboxylic acid
CID 44888706

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one?
The IUPAC name of tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one (CID 130027584) is tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one.
What is the SMILES notation for tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one?
The canonical SMILES for tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one is O=C1CCC2c3ccccc3C12.
What is the InChIKey of tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one?
The InChIKey is QTUVHHGDNMATQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c12-10-6-5-9-7-3-1-2-4-8(7)11(9)10/h1-4,9,11H,5-6H2.
What are the key properties of tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one?
tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-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[5.4.0.02,6]undeca-1(11),7,9-trien-3-one is sourced from PubChem (CID 130027584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).