bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide

C6H5I — CID 174338176

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide
SMILESI.c1cc2cc-2c1
InChIInChI=1S/C6H4.HI/c1-2-5-4-6(5)3-1;/h1-4H;1H
InChIKeyCBTBULHTKSJDIM-UHFFFAOYSA-N
MW204.01 g/mol
LogP2.29
Rot. Bonds

About bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide

bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide (PubChem CID 174338176) has the molecular formula C6H5I and a molecular weight of 204.01 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide
PubChem CID174338176
Molecular FormulaC6H5I
Molecular Weight204.01 g/mol
Exact Mass203.94
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide
SMILESI.c1cc2cc-2c1
InChIInChI=1S/C6H4.HI/c1-2-5-4-6(5)3-1;/h1-4H;1H
InChIKeyCBTBULHTKSJDIM-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.01
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide 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 bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide (CID 174338176) is bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide is I.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide?
The InChIKey is CBTBULHTKSJDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.HI/c1-2-5-4-6(5)3-1;/h1-4H;1H.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide?
bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide has a molecular weight of 204.01 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide is sourced from PubChem (CID 174338176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).