5-chloro-1-ethyl-3-methylindole

C11H12ClN — CID 23383492

IUPAC5-chloro-1-ethyl-3-methylindole
SMILESCCn1cc(C)c2cc(Cl)ccc21
InChIInChI=1S/C11H12ClN/c1-3-13-7-8(2)10-6-9(12)4-5-11(10)13/h4-7H,3H2,1-2H3
InChIKeyBNMYLJSEMOMHAY-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.62
Rot. Bonds1

About 5-chloro-1-ethyl-3-methylindole

5-chloro-1-ethyl-3-methylindole (PubChem CID 23383492) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 5-chloro-1-ethyl-3-methylindole.

Molecular Properties

Compound Name5-chloro-1-ethyl-3-methylindole
PubChem CID23383492
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name5-chloro-1-ethyl-3-methylindole
SMILESCCn1cc(C)c2cc(Cl)ccc21
InChIInChI=1S/C11H12ClN/c1-3-13-7-8(2)10-6-9(12)4-5-11(10)13/h4-7H,3H2,1-2H3
InChIKeyBNMYLJSEMOMHAY-UHFFFAOYSA-N
XLogP3.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-3-methylindole?
The IUPAC name of 5-chloro-1-ethyl-3-methylindole (CID 23383492) is 5-chloro-1-ethyl-3-methylindole.
What is the SMILES notation for 5-chloro-1-ethyl-3-methylindole?
The canonical SMILES for 5-chloro-1-ethyl-3-methylindole is CCn1cc(C)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethyl-3-methylindole?
The InChIKey is BNMYLJSEMOMHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-3-13-7-8(2)10-6-9(12)4-5-11(10)13/h4-7H,3H2,1-2H3.
What are the key properties of 5-chloro-1-ethyl-3-methylindole?
5-chloro-1-ethyl-3-methylindole has a molecular weight of 193.68 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-3-methylindole is sourced from PubChem (CID 23383492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).