4-(iodomethyl)-1H-indole

C9H8IN — CID 143791617

IUPAC4-(iodomethyl)-1H-indole
SMILESICc1cccc2[nH]ccc12
InChIInChI=1S/C9H8IN/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H,6H2
InChIKeyCMGCNHYLWHLESL-UHFFFAOYSA-N
MW257.07 g/mol
LogP3.10
Rot. Bonds1

About 4-(iodomethyl)-1H-indole

4-(iodomethyl)-1H-indole (PubChem CID 143791617) has the molecular formula C9H8IN and a molecular weight of 257.07 g/mol. Its IUPAC name is 4-(iodomethyl)-1H-indole.

Molecular Properties

Compound Name4-(iodomethyl)-1H-indole
PubChem CID143791617
Molecular FormulaC9H8IN
Molecular Weight257.07 g/mol
Exact Mass256.97
IUPAC Name4-(iodomethyl)-1H-indole
SMILESICc1cccc2[nH]ccc12
InChIInChI=1S/C9H8IN/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H,6H2
InChIKeyCMGCNHYLWHLESL-UHFFFAOYSA-N
XLogP3.10
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 53.10
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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Related Compounds

Indole
CID 798
Skatole
CID 6736
N,N-Dimethyltryptamine
CID 6089
Tryptamine
CID 1150
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
3,3'-Diindolylmethane
CID 3071
Tetrahydro-beta-carboline
CID 107838
(-)-Agroclavine
CID 73484
Indalpine
CID 44668

Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)-1H-indole?
The IUPAC name of 4-(iodomethyl)-1H-indole (CID 143791617) is 4-(iodomethyl)-1H-indole.
What is the SMILES notation for 4-(iodomethyl)-1H-indole?
The canonical SMILES for 4-(iodomethyl)-1H-indole is ICc1cccc2[nH]ccc12.
What is the InChIKey of 4-(iodomethyl)-1H-indole?
The InChIKey is CMGCNHYLWHLESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H,6H2.
What are the key properties of 4-(iodomethyl)-1H-indole?
4-(iodomethyl)-1H-indole has a molecular weight of 257.07 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)-1H-indole is sourced from PubChem (CID 143791617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).