1-(3-iodopropyl)indole

C11H12IN — CID 11323600

IUPAC1-(3-iodopropyl)indole
SMILESICCCn1ccc2ccccc21
InChIInChI=1S/C11H12IN/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-6,9H,3,7-8H2
InChIKeyXIGPZCRZBBORMO-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.47
Rot. Bonds3

About 1-(3-iodopropyl)indole

1-(3-iodopropyl)indole (PubChem CID 11323600) has the molecular formula C11H12IN and a molecular weight of 285.13 g/mol. Its IUPAC name is 1-(3-iodopropyl)indole.

Molecular Properties

Compound Name1-(3-iodopropyl)indole
PubChem CID11323600
Molecular FormulaC11H12IN
Molecular Weight285.13 g/mol
Exact Mass285.00
IUPAC Name1-(3-iodopropyl)indole
SMILESICCCn1ccc2ccccc21
InChIInChI=1S/C11H12IN/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-6,9H,3,7-8H2
InChIKeyXIGPZCRZBBORMO-UHFFFAOYSA-N
XLogP3.47
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.47
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

3-indol-1-ylpropan-1-amine
CID 2512786
3-indol-1-ylpropane-1-thiol
CID 139540347
1-(3-fluoropropyl)indole
CID 81113690
1-[(E)-5-bromopent-4-enyl]indole
CID 154723220
CID 58655955
CID 58655955
1-(2-fluoroethyl)indole
CID 80694500
1-(3-ethylsulfonylpropyl)indole
CID 65097244
1-(2-phenylethyl)indole
CID 12601752
acetic acid;1-butylindole
CID 162326365
1-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 3018029
1-(4-imidazol-1-ylbutyl)indole
CID 151284685
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodopropyl)indole?
The IUPAC name of 1-(3-iodopropyl)indole (CID 11323600) is 1-(3-iodopropyl)indole.
What is the SMILES notation for 1-(3-iodopropyl)indole?
The canonical SMILES for 1-(3-iodopropyl)indole is ICCCn1ccc2ccccc21.
What is the InChIKey of 1-(3-iodopropyl)indole?
The InChIKey is XIGPZCRZBBORMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-6,9H,3,7-8H2.
What are the key properties of 1-(3-iodopropyl)indole?
1-(3-iodopropyl)indole has a molecular weight of 285.13 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodopropyl)indole is sourced from PubChem (CID 11323600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).