1-iodotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

C11H9I — CID 139903095

IUPAC1-iodotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESIC12C=CC(C1)c1ccccc12
InChIInChI=1S/C11H9I/c12-11-6-5-8(7-11)9-3-1-2-4-10(9)11/h1-6,8H,7H2
InChIKeyZAYXHZZOEXIFHD-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.37
Rot. Bonds

About 1-iodotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

1-iodotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (PubChem CID 139903095) has the molecular formula C11H9I and a molecular weight of 268.10 g/mol. Its IUPAC name is 1-iodotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name1-iodotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
PubChem CID139903095
Molecular FormulaC11H9I
Molecular Weight268.10 g/mol
Exact Mass267.97
IUPAC Name1-iodotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESIC12C=CC(C1)c1ccccc12
InChIInChI=1S/C11H9I/c12-11-6-5-8(7-11)9-3-1-2-4-10(9)11/h1-6,8H,7H2
InChIKeyZAYXHZZOEXIFHD-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 53.37
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The IUPAC name of 1-iodotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (CID 139903095) is 1-iodotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.
What is the SMILES notation for 1-iodotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The canonical SMILES for 1-iodotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is IC12C=CC(C1)c1ccccc12.
What is the InChIKey of 1-iodotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The InChIKey is ZAYXHZZOEXIFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9I/c12-11-6-5-8(7-11)9-3-1-2-4-10(9)11/h1-6,8H,7H2.
What are the key properties of 1-iodotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
1-iodotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene has a molecular weight of 268.10 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is sourced from PubChem (CID 139903095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).