bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene

C11H10 — CID 91124939

IUPACbicyclo[8.1.0]undeca-1,3,5,7,9-pentaene
SMILESc1ccccc2c(ccc1)C2
InChIInChI=1S/C11H10/c1-2-4-6-8-11-9-10(11)7-5-3-1/h1-8H,9H2/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,10-7-,11-8-
InChIKeyFBRZLQFOMLXMBV-HORLBPKYSA-N
MW142.20 g/mol
LogP2.72
Rot. Bonds

About bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene

bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene (PubChem CID 91124939) has the molecular formula C11H10 and a molecular weight of 142.20 g/mol. Its IUPAC name is bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Namebicyclo[8.1.0]undeca-1,3,5,7,9-pentaene
PubChem CID91124939
Molecular FormulaC11H10
Molecular Weight142.20 g/mol
Exact Mass142.08
IUPAC Namebicyclo[8.1.0]undeca-1,3,5,7,9-pentaene
SMILESc1ccccc2c(ccc1)C2
InChIInChI=1S/C11H10/c1-2-4-6-8-11-9-10(11)7-5-3-1/h1-8H,9H2/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,10-7-,11-8-
InChIKeyFBRZLQFOMLXMBV-HORLBPKYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene?
The IUPAC name of bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene (CID 91124939) is bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene.
What is the SMILES notation for bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene?
The canonical SMILES for bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene is c1ccccc2c(ccc1)C2.
What is the InChIKey of bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene?
The InChIKey is FBRZLQFOMLXMBV-HORLBPKYSA-N. The full InChI is InChI=1S/C11H10/c1-2-4-6-8-11-9-10(11)7-5-3-1/h1-8H,9H2/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,10-7-,11-8-.
What are the key properties of bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene?
bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene has a molecular weight of 142.20 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 91124939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).