tricyclo[6.2.1.02,6]undeca-2,5,9-triene

C11H12 — CID 14738573

IUPACtricyclo[6.2.1.02,6]undeca-2,5,9-triene
SMILESC1=CC2CC1CC1=CCC=C12
InChIInChI=1S/C11H12/c1-2-9-6-8-4-5-10(7-8)11(9)3-1/h2-5,8,10H,1,6-7H2
InChIKeyPFFMRFRCJZLYQD-UHFFFAOYSA-N
MW144.22 g/mol
LogP2.84
Rot. Bonds

About tricyclo[6.2.1.02,6]undeca-2,5,9-triene

tricyclo[6.2.1.02,6]undeca-2,5,9-triene (PubChem CID 14738573) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is tricyclo[6.2.1.02,6]undeca-2,5,9-triene.

Molecular Properties

Compound Nametricyclo[6.2.1.02,6]undeca-2,5,9-triene
PubChem CID14738573
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Nametricyclo[6.2.1.02,6]undeca-2,5,9-triene
SMILESC1=CC2CC1CC1=CCC=C12
InChIInChI=1S/C11H12/c1-2-9-6-8-4-5-10(7-8)11(9)3-1/h2-5,8,10H,1,6-7H2
InChIKeyPFFMRFRCJZLYQD-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4S)-bicyclo[2.2.1]hept-5-en-2-one
CID 139246523
bicyclo[2.2.1]hept-5-en-2-one;ethene
CID 67271465
5-(bromomethylidene)bicyclo[2.2.1]hept-2-ene
CID 165356255
N-cyclohexylbicyclo[2.2.1]hept-5-en-2-imine
CID 141090948
(1S,8S)-tricyclo[6.2.1.02,6]undeca-2(6),9-dien-3-one
CID 131041323
5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid
CID 70426120
5-ethylidenebicyclo[2.2.1]hept-2-ene;2-methylprop-1-ene
CID 173415294
(1S,5S)-bicyclo[3.2.1]oct-6-en-3-one
CID 7057322
1-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine
CID 124659798
3-(2-bicyclo[2.2.1]hept-5-enylidene)bicyclo[2.2.1]heptan-2-one
CID 117070196
1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine
CID 124659802
6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraene
CID 130067326

Frequently Asked Questions

What is the IUPAC name of tricyclo[6.2.1.02,6]undeca-2,5,9-triene?
The IUPAC name of tricyclo[6.2.1.02,6]undeca-2,5,9-triene (CID 14738573) is tricyclo[6.2.1.02,6]undeca-2,5,9-triene.
What is the SMILES notation for tricyclo[6.2.1.02,6]undeca-2,5,9-triene?
The canonical SMILES for tricyclo[6.2.1.02,6]undeca-2,5,9-triene is C1=CC2CC1CC1=CCC=C12.
What is the InChIKey of tricyclo[6.2.1.02,6]undeca-2,5,9-triene?
The InChIKey is PFFMRFRCJZLYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-2-9-6-8-4-5-10(7-8)11(9)3-1/h2-5,8,10H,1,6-7H2.
What are the key properties of tricyclo[6.2.1.02,6]undeca-2,5,9-triene?
tricyclo[6.2.1.02,6]undeca-2,5,9-triene has a molecular weight of 144.22 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.2.1.02,6]undeca-2,5,9-triene is sourced from PubChem (CID 14738573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).