2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene

C11H7I — CID 13067294

IUPAC2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
SMILESIC1c2cccc3cccc1c23
InChIInChI=1S/C11H7I/c12-11-8-5-1-3-7-4-2-6-9(11)10(7)8/h1-6,11H
InChIKeyJZZKVPJRWCUBRJ-UHFFFAOYSA-N
MW266.08 g/mol
LogP3.68
Rot. Bonds

About 2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene

2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene (PubChem CID 13067294) has the molecular formula C11H7I and a molecular weight of 266.08 g/mol. Its IUPAC name is 2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene.

Molecular Properties

Compound Name2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
PubChem CID13067294
Molecular FormulaC11H7I
Molecular Weight266.08 g/mol
Exact Mass265.96
IUPAC Name2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
SMILESIC1c2cccc3cccc1c23
InChIInChI=1S/C11H7I/c12-11-8-5-1-3-7-4-2-6-9(11)10(7)8/h1-6,11H
InChIKeyJZZKVPJRWCUBRJ-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
The IUPAC name of 2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene (CID 13067294) is 2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene.
What is the SMILES notation for 2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
The canonical SMILES for 2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene is IC1c2cccc3cccc1c23.
What is the InChIKey of 2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
The InChIKey is JZZKVPJRWCUBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7I/c12-11-8-5-1-3-7-4-2-6-9(11)10(7)8/h1-6,11H.
What are the key properties of 2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene has a molecular weight of 266.08 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodotricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene is sourced from PubChem (CID 13067294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).