tricyclo[5.2.1.02,6]dec-8-en-4-one

C10H12O — CID 548712

IUPACtricyclo[5.2.1.02,6]dec-8-en-4-one
SMILESO=C1CC2C3C=CC(C3)C2C1
InChIInChI=1S/C10H12O/c11-8-4-9-6-1-2-7(3-6)10(9)5-8/h1-2,6-7,9-10H,3-5H2
InChIKeyRVGDISVECLSKBW-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.79
Rot. Bonds

About tricyclo[5.2.1.02,6]dec-8-en-4-one

tricyclo[5.2.1.02,6]dec-8-en-4-one (PubChem CID 548712) has the molecular formula C10H12O and a molecular weight of 148.21 g/mol. Its IUPAC name is tricyclo[5.2.1.02,6]dec-8-en-4-one.

Molecular Properties

Compound Nametricyclo[5.2.1.02,6]dec-8-en-4-one
PubChem CID548712
Molecular FormulaC10H12O
Molecular Weight148.21 g/mol
Exact Mass148.09
IUPAC Nametricyclo[5.2.1.02,6]dec-8-en-4-one
SMILESO=C1CC2C3C=CC(C3)C2C1
InChIInChI=1S/C10H12O/c11-8-4-9-6-1-2-7(3-6)10(9)5-8/h1-2,6-7,9-10H,3-5H2
InChIKeyRVGDISVECLSKBW-UHFFFAOYSA-N
XLogP1.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene
CID 22237211
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
(1R,2S,6R,7S)-3-oxatricyclo[5.2.1.02,6]dec-8-en-4-one
CID 10464494
(1S,2R,4S,5R,8S,9S,11S,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 11889790
(2S,4S,5S,8S,9R,11R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 132540584
(1S,2R,7S,8R)-3-azatricyclo[6.2.1.02,7]undec-9-en-4-one
CID 122205081
pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
CID 23448609
(1S,5S)-bicyclo[3.2.1]oct-6-en-3-one
CID 7057322
(1S,2R,4R,5S,8R,9S,12S,13R)-pentacyclo[11.2.2.15,8.02,12.04,9]octadeca-6,14-dien-3-one
CID 16744401
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
(2S,6R)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 12006893

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.2.1.02,6]dec-8-en-4-one?
The IUPAC name of tricyclo[5.2.1.02,6]dec-8-en-4-one (CID 548712) is tricyclo[5.2.1.02,6]dec-8-en-4-one.
What is the SMILES notation for tricyclo[5.2.1.02,6]dec-8-en-4-one?
The canonical SMILES for tricyclo[5.2.1.02,6]dec-8-en-4-one is O=C1CC2C3C=CC(C3)C2C1.
What is the InChIKey of tricyclo[5.2.1.02,6]dec-8-en-4-one?
The InChIKey is RVGDISVECLSKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c11-8-4-9-6-1-2-7(3-6)10(9)5-8/h1-2,6-7,9-10H,3-5H2.
What are the key properties of tricyclo[5.2.1.02,6]dec-8-en-4-one?
tricyclo[5.2.1.02,6]dec-8-en-4-one has a molecular weight of 148.21 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.2.1.02,6]dec-8-en-4-one is sourced from PubChem (CID 548712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).