3-iodo-3-methyl-1,2-dihydroindole

C9H10IN — CID 166899388

IUPAC3-iodo-3-methyl-1,2-dihydroindole
SMILESCC1(I)CNc2ccccc21
InChIInChI=1S/C9H10IN/c1-9(10)6-11-8-5-3-2-4-7(8)9/h2-5,11H,6H2,1H3
InChIKeyIGYPFZQYRVNSFK-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.76
Rot. Bonds

About 3-iodo-3-methyl-1,2-dihydroindole

3-iodo-3-methyl-1,2-dihydroindole (PubChem CID 166899388) has the molecular formula C9H10IN and a molecular weight of 259.09 g/mol. Its IUPAC name is 3-iodo-3-methyl-1,2-dihydroindole.

Molecular Properties

Compound Name3-iodo-3-methyl-1,2-dihydroindole
PubChem CID166899388
Molecular FormulaC9H10IN
Molecular Weight259.09 g/mol
Exact Mass258.99
IUPAC Name3-iodo-3-methyl-1,2-dihydroindole
SMILESCC1(I)CNc2ccccc21
InChIInChI=1S/C9H10IN/c1-9(10)6-11-8-5-3-2-4-7(8)9/h2-5,11H,6H2,1H3
InChIKeyIGYPFZQYRVNSFK-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-3-methyl-1,2-dihydroindole?
The IUPAC name of 3-iodo-3-methyl-1,2-dihydroindole (CID 166899388) is 3-iodo-3-methyl-1,2-dihydroindole.
What is the SMILES notation for 3-iodo-3-methyl-1,2-dihydroindole?
The canonical SMILES for 3-iodo-3-methyl-1,2-dihydroindole is CC1(I)CNc2ccccc21.
What is the InChIKey of 3-iodo-3-methyl-1,2-dihydroindole?
The InChIKey is IGYPFZQYRVNSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN/c1-9(10)6-11-8-5-3-2-4-7(8)9/h2-5,11H,6H2,1H3.
What are the key properties of 3-iodo-3-methyl-1,2-dihydroindole?
3-iodo-3-methyl-1,2-dihydroindole has a molecular weight of 259.09 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-3-methyl-1,2-dihydroindole is sourced from PubChem (CID 166899388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).