2-(3-chloropropyl)-1H-indole

C11H12ClN — CID 13271043

IUPAC2-(3-chloropropyl)-1H-indole
SMILESClCCCc1cc2ccccc2[nH]1
InChIInChI=1S/C11H12ClN/c12-7-3-5-10-8-9-4-1-2-6-11(9)13-10/h1-2,4,6,8,13H,3,5,7H2
InChIKeyIZEFPPBNFYOOLE-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.34
Rot. Bonds3

About 2-(3-chloropropyl)-1H-indole

2-(3-chloropropyl)-1H-indole (PubChem CID 13271043) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1H-indole.

Molecular Properties

Compound Name2-(3-chloropropyl)-1H-indole
PubChem CID13271043
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name2-(3-chloropropyl)-1H-indole
SMILESClCCCc1cc2ccccc2[nH]1
InChIInChI=1S/C11H12ClN/c12-7-3-5-10-8-9-4-1-2-6-11(9)13-10/h1-2,4,6,8,13H,3,5,7H2
InChIKeyIZEFPPBNFYOOLE-UHFFFAOYSA-N
XLogP3.34
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
2-(4-methylpentyl)-1H-indole
CID 18761636
2-(2-fluoroethyl)-1H-indole
CID 142633825
2-(4-fluoropentyl)-1H-indole
CID 170987599
4-(1H-indol-2-yl)butylboronic acid
CID 67682562
2-(1H-indol-2-yl)ethanamine;hydroiodide
CID 175201769
8-(1H-indol-2-yl)octanoic acid
CID 54343320
disodium bis(4-(1H-indol-2-yl)butanoate)
CID 141404952
2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole
CID 54246993
2-(3-chloropropyl)-1H-indole-5-carbonitrile
CID 174373716
4-(1H-indol-2-yl)-2-methylbutan-2-amine
CID 116995131

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1H-indole?
The IUPAC name of 2-(3-chloropropyl)-1H-indole (CID 13271043) is 2-(3-chloropropyl)-1H-indole.
What is the SMILES notation for 2-(3-chloropropyl)-1H-indole?
The canonical SMILES for 2-(3-chloropropyl)-1H-indole is ClCCCc1cc2ccccc2[nH]1.
What is the InChIKey of 2-(3-chloropropyl)-1H-indole?
The InChIKey is IZEFPPBNFYOOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c12-7-3-5-10-8-9-4-1-2-6-11(9)13-10/h1-2,4,6,8,13H,3,5,7H2.
What are the key properties of 2-(3-chloropropyl)-1H-indole?
2-(3-chloropropyl)-1H-indole has a molecular weight of 193.68 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1H-indole is sourced from PubChem (CID 13271043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).