4-chloro-6-propyl-1H-indole

C11H12ClN — CID 67563009

IUPAC4-chloro-6-propyl-1H-indole
SMILESCCCc1cc(Cl)c2cc[nH]c2c1
InChIInChI=1S/C11H12ClN/c1-2-3-8-6-10(12)9-4-5-13-11(9)7-8/h4-7,13H,2-3H2,1H3
InChIKeyWDHXZVMKYLSDHD-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.77
Rot. Bonds2

About 4-chloro-6-propyl-1H-indole

4-chloro-6-propyl-1H-indole (PubChem CID 67563009) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 4-chloro-6-propyl-1H-indole.

Molecular Properties

Compound Name4-chloro-6-propyl-1H-indole
PubChem CID67563009
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name4-chloro-6-propyl-1H-indole
SMILESCCCc1cc(Cl)c2cc[nH]c2c1
InChIInChI=1S/C11H12ClN/c1-2-3-8-6-10(12)9-4-5-13-11(9)7-8/h4-7,13H,2-3H2,1H3
InChIKeyWDHXZVMKYLSDHD-UHFFFAOYSA-N
XLogP3.77
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propyl-1H-indole?
The IUPAC name of 4-chloro-6-propyl-1H-indole (CID 67563009) is 4-chloro-6-propyl-1H-indole.
What is the SMILES notation for 4-chloro-6-propyl-1H-indole?
The canonical SMILES for 4-chloro-6-propyl-1H-indole is CCCc1cc(Cl)c2cc[nH]c2c1.
What is the InChIKey of 4-chloro-6-propyl-1H-indole?
The InChIKey is WDHXZVMKYLSDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-2-3-8-6-10(12)9-4-5-13-11(9)7-8/h4-7,13H,2-3H2,1H3.
What are the key properties of 4-chloro-6-propyl-1H-indole?
4-chloro-6-propyl-1H-indole has a molecular weight of 193.68 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propyl-1H-indole is sourced from PubChem (CID 67563009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).