5-iodo-5-methyl-1,6-dihydroindole

C9H10IN — CID 71170652

IUPAC5-iodo-5-methyl-1,6-dihydroindole
SMILESCC1(I)C=c2cc[nH]c2=CC1
InChIInChI=1S/C9H10IN/c1-9(10)4-2-8-7(6-9)3-5-11-8/h2-3,5-6,11H,4H2,1H3
InChIKeyWRRSNUGPAZYFGC-UHFFFAOYSA-N
MW259.09 g/mol
LogP1.17
Rot. Bonds

About 5-iodo-5-methyl-1,6-dihydroindole

5-iodo-5-methyl-1,6-dihydroindole (PubChem CID 71170652) has the molecular formula C9H10IN and a molecular weight of 259.09 g/mol. Its IUPAC name is 5-iodo-5-methyl-1,6-dihydroindole.

Molecular Properties

Compound Name5-iodo-5-methyl-1,6-dihydroindole
PubChem CID71170652
Molecular FormulaC9H10IN
Molecular Weight259.09 g/mol
Exact Mass258.99
IUPAC Name5-iodo-5-methyl-1,6-dihydroindole
SMILESCC1(I)C=c2cc[nH]c2=CC1
InChIInChI=1S/C9H10IN/c1-9(10)4-2-8-7(6-9)3-5-11-8/h2-3,5-6,11H,4H2,1H3
InChIKeyWRRSNUGPAZYFGC-UHFFFAOYSA-N
XLogP1.17
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 5-iodo-5-methyl-1,6-dihydroindole?
The IUPAC name of 5-iodo-5-methyl-1,6-dihydroindole (CID 71170652) is 5-iodo-5-methyl-1,6-dihydroindole.
What is the SMILES notation for 5-iodo-5-methyl-1,6-dihydroindole?
The canonical SMILES for 5-iodo-5-methyl-1,6-dihydroindole is CC1(I)C=c2cc[nH]c2=CC1.
What is the InChIKey of 5-iodo-5-methyl-1,6-dihydroindole?
The InChIKey is WRRSNUGPAZYFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN/c1-9(10)4-2-8-7(6-9)3-5-11-8/h2-3,5-6,11H,4H2,1H3.
What are the key properties of 5-iodo-5-methyl-1,6-dihydroindole?
5-iodo-5-methyl-1,6-dihydroindole has a molecular weight of 259.09 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-5-methyl-1,6-dihydroindole is sourced from PubChem (CID 71170652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).