(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole

C9H10IN — CID 26338665

IUPAC(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
SMILESIC[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C9H10IN/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8,11H,5-6H2/t8-/m0/s1
InChIKeyFTDKWBOHZIGPCX-QMMMGPOBSA-N
MW259.09 g/mol
LogP2.46
Rot. Bonds1

About (2S)-2-(iodomethyl)-2,3-dihydro-1H-indole

(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole (PubChem CID 26338665) has the molecular formula C9H10IN and a molecular weight of 259.09 g/mol. Its IUPAC name is (2S)-2-(iodomethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
PubChem CID26338665
Molecular FormulaC9H10IN
Molecular Weight259.09 g/mol
Exact Mass258.99
IUPAC Name(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
SMILESIC[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C9H10IN/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8,11H,5-6H2/t8-/m0/s1
InChIKeyFTDKWBOHZIGPCX-QMMMGPOBSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.46
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'}

Analyze (2S)-2-(iodomethyl)-2,3-dihydro-1H-indole 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

2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
CID 11778039
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 1380957
(2R)-2-benzyl-2,3-dihydro-1H-indole
CID 71608217
2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride
CID 165454907
3-(2,3-dihydro-1H-indol-2-yl)propan-1-ol
CID 10976039
2-(2,3-dihydro-1H-indol-2-yl)-N-ethenylethanamine
CID 143815191
N-[2-(2,3-dihydro-1H-indol-2-yl)ethyl]cyclopentanamine
CID 115105365
2-(2-methylbutyl)-2,3-dihydro-1H-indole
CID 65042120
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methylpropan-2-amine
CID 80567683
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine
CID 130522123
2-nonyl-2,3-dihydro-1H-indole
CID 65041926

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(iodomethyl)-2,3-dihydro-1H-indole?
The IUPAC name of (2S)-2-(iodomethyl)-2,3-dihydro-1H-indole (CID 26338665) is (2S)-2-(iodomethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for (2S)-2-(iodomethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for (2S)-2-(iodomethyl)-2,3-dihydro-1H-indole is IC[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-2-(iodomethyl)-2,3-dihydro-1H-indole?
The InChIKey is FTDKWBOHZIGPCX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10IN/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8,11H,5-6H2/t8-/m0/s1.
What are the key properties of (2S)-2-(iodomethyl)-2,3-dihydro-1H-indole?
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole has a molecular weight of 259.09 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(iodomethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 26338665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).