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

C9H10IN — CID 143057864

IUPAC2-iodo-1-methyl-2,3-dihydroindole
SMILESCN1c2ccccc2CC1I
InChIInChI=1S/C9H10IN/c1-11-8-5-3-2-4-7(8)6-9(11)10/h2-5,9H,6H2,1H3
InChIKeyKQGFCWJYQNNBNI-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.44
Rot. Bonds

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

2-iodo-1-methyl-2,3-dihydroindole (PubChem CID 143057864) has the molecular formula C9H10IN and a molecular weight of 259.09 g/mol. Its IUPAC name is 2-iodo-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-iodo-1-methyl-2,3-dihydroindole
PubChem CID143057864
Molecular FormulaC9H10IN
Molecular Weight259.09 g/mol
Exact Mass258.99
IUPAC Name2-iodo-1-methyl-2,3-dihydroindole
SMILESCN1c2ccccc2CC1I
InChIInChI=1S/C9H10IN/c1-11-8-5-3-2-4-7(8)6-9(11)10/h2-5,9H,6H2,1H3
InChIKeyKQGFCWJYQNNBNI-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-iodo-1-methyl-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2,3-dihydroindol-2-ol
CID 70661566
2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid
CID 83860831
ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone
CID 145087569
(2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole
CID 58765416
ethane;(2S)-1-methyl-2-[(E)-prop-1-enyl]-2,3-dihydroindole
CID 90799383
(2R)-1-iodo-2-methyl-2,3-dihydroindole
CID 142057461
2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one
CID 71215026
CID 174545323
CID 174545323
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
28-methyl-28-azatricyclo[18.9.0.022,27]nonacosa-22,24,26-triene
CID 166968501
2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
CID 170196802
N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride
CID 146027457

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-methyl-2,3-dihydroindole?
The IUPAC name of 2-iodo-1-methyl-2,3-dihydroindole (CID 143057864) is 2-iodo-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 2-iodo-1-methyl-2,3-dihydroindole?
The canonical SMILES for 2-iodo-1-methyl-2,3-dihydroindole is CN1c2ccccc2CC1I.
What is the InChIKey of 2-iodo-1-methyl-2,3-dihydroindole?
The InChIKey is KQGFCWJYQNNBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN/c1-11-8-5-3-2-4-7(8)6-9(11)10/h2-5,9H,6H2,1H3.
What are the key properties of 2-iodo-1-methyl-2,3-dihydroindole?
2-iodo-1-methyl-2,3-dihydroindole has a molecular weight of 259.09 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 143057864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).