1-(2-iodoethyl)-2,3-dihydroindole

C10H12IN — CID 131082836

IUPAC1-(2-iodoethyl)-2,3-dihydroindole
SMILESICCN1CCc2ccccc21
InChIInChI=1S/C10H12IN/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8H2
InChIKeyBYXKBZQCSCFNNT-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.48
Rot. Bonds2

About 1-(2-iodoethyl)-2,3-dihydroindole

1-(2-iodoethyl)-2,3-dihydroindole (PubChem CID 131082836) has the molecular formula C10H12IN and a molecular weight of 273.12 g/mol. Its IUPAC name is 1-(2-iodoethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-iodoethyl)-2,3-dihydroindole
PubChem CID131082836
Molecular FormulaC10H12IN
Molecular Weight273.12 g/mol
Exact Mass273.00
IUPAC Name1-(2-iodoethyl)-2,3-dihydroindole
SMILESICCN1CCc2ccccc21
InChIInChI=1S/C10H12IN/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8H2
InChIKeyBYXKBZQCSCFNNT-UHFFFAOYSA-N
XLogP2.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.48
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'}

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Related Compounds

2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
1-butyl-2,3-dihydroindole
CID 4167209
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 82081939
1-(2-piperazin-1-ylethyl)-2,3-dihydroindole
CID 28704454
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
1-(2-pyridin-4-ylethyl)-2,3-dihydroindole
CID 25056
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
1-[2-(benzenesulfinyl)ethyl]-2,3-dihydroindole
CID 42962003

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodoethyl)-2,3-dihydroindole?
The IUPAC name of 1-(2-iodoethyl)-2,3-dihydroindole (CID 131082836) is 1-(2-iodoethyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(2-iodoethyl)-2,3-dihydroindole?
The canonical SMILES for 1-(2-iodoethyl)-2,3-dihydroindole is ICCN1CCc2ccccc21.
What is the InChIKey of 1-(2-iodoethyl)-2,3-dihydroindole?
The InChIKey is BYXKBZQCSCFNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8H2.
What are the key properties of 1-(2-iodoethyl)-2,3-dihydroindole?
1-(2-iodoethyl)-2,3-dihydroindole has a molecular weight of 273.12 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodoethyl)-2,3-dihydroindole is sourced from PubChem (CID 131082836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).