5-iodo-1-propan-2-ylindole

C11H12IN — CID 135396038

IUPAC5-iodo-1-propan-2-ylindole
SMILESCC(C)n1ccc2cc(I)ccc21
InChIInChI=1S/C11H12IN/c1-8(2)13-6-5-9-7-10(12)3-4-11(9)13/h3-8H,1-2H3
InChIKeyXCPQYVDUMNBZRM-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.83
Rot. Bonds1

About 5-iodo-1-propan-2-ylindole

5-iodo-1-propan-2-ylindole (PubChem CID 135396038) has the molecular formula C11H12IN and a molecular weight of 285.13 g/mol. Its IUPAC name is 5-iodo-1-propan-2-ylindole.

Molecular Properties

Compound Name5-iodo-1-propan-2-ylindole
PubChem CID135396038
Molecular FormulaC11H12IN
Molecular Weight285.13 g/mol
Exact Mass285.00
IUPAC Name5-iodo-1-propan-2-ylindole
SMILESCC(C)n1ccc2cc(I)ccc21
InChIInChI=1S/C11H12IN/c1-8(2)13-6-5-9-7-10(12)3-4-11(9)13/h3-8H,1-2H3
InChIKeyXCPQYVDUMNBZRM-UHFFFAOYSA-N
XLogP3.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-iodo-1-propan-2-ylindole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-propan-2-ylindole?
The IUPAC name of 5-iodo-1-propan-2-ylindole (CID 135396038) is 5-iodo-1-propan-2-ylindole.
What is the SMILES notation for 5-iodo-1-propan-2-ylindole?
The canonical SMILES for 5-iodo-1-propan-2-ylindole is CC(C)n1ccc2cc(I)ccc21.
What is the InChIKey of 5-iodo-1-propan-2-ylindole?
The InChIKey is XCPQYVDUMNBZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN/c1-8(2)13-6-5-9-7-10(12)3-4-11(9)13/h3-8H,1-2H3.
What are the key properties of 5-iodo-1-propan-2-ylindole?
5-iodo-1-propan-2-ylindole has a molecular weight of 285.13 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-propan-2-ylindole is sourced from PubChem (CID 135396038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).