[(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite

C10H9IN2Se — CID 175184378

IUPAC[(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite
SMILESCC1=Cc2ccc(/N=N/[Se]I)cc2C1
InChIInChI=1S/C10H9IN2Se/c1-7-4-8-2-3-10(12-13-14-11)6-9(8)5-7/h2-4,6H,5H2,1H3/b13-12+
InChIKeyONSUDGFSNACSJX-OUKQBFOZSA-N
MW363.06 g/mol
LogP3.70
Rot. Bonds2

About [(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite

[(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite (PubChem CID 175184378) has the molecular formula C10H9IN2Se and a molecular weight of 363.06 g/mol. Its IUPAC name is [(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite.

Molecular Properties

Compound Name[(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite
PubChem CID175184378
Molecular FormulaC10H9IN2Se
Molecular Weight363.06 g/mol
Exact Mass363.90
IUPAC Name[(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite
SMILESCC1=Cc2ccc(/N=N/[Se]I)cc2C1
InChIInChI=1S/C10H9IN2Se/c1-7-4-8-2-3-10(12-13-14-11)6-9(8)5-7/h2-4,6H,5H2,1H3/b13-12+
InChIKeyONSUDGFSNACSJX-OUKQBFOZSA-N
XLogP3.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.06
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite?
The IUPAC name of [(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite (CID 175184378) is [(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite.
What is the SMILES notation for [(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite?
The canonical SMILES for [(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite is CC1=Cc2ccc(/N=N/[Se]I)cc2C1.
What is the InChIKey of [(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite?
The InChIKey is ONSUDGFSNACSJX-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H9IN2Se/c1-7-4-8-2-3-10(12-13-14-11)6-9(8)5-7/h2-4,6H,5H2,1H3/b13-12+.
What are the key properties of [(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite?
[(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite has a molecular weight of 363.06 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methyl-3H-inden-5-yl)diazenyl] selenohypoiodite is sourced from PubChem (CID 175184378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).