4-chloro-1-methylindole;ethane

C11H14ClN — CID 142062846

IUPAC4-chloro-1-methylindole;ethane
SMILESCC.Cn1ccc2c(Cl)cccc21
InChIInChI=1S/C9H8ClN.C2H6/c1-11-6-5-7-8(10)3-2-4-9(7)11;1-2/h2-6H,1H3;1-2H3
InChIKeyQWMZGQYBEKMBIT-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.86
Rot. Bonds

About 4-chloro-1-methylindole;ethane

4-chloro-1-methylindole;ethane (PubChem CID 142062846) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 4-chloro-1-methylindole;ethane.

Molecular Properties

Compound Name4-chloro-1-methylindole;ethane
PubChem CID142062846
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name4-chloro-1-methylindole;ethane
SMILESCC.Cn1ccc2c(Cl)cccc21
InChIInChI=1S/C9H8ClN.C2H6/c1-11-6-5-7-8(10)3-2-4-9(7)11;1-2/h2-6H,1H3;1-2H3
InChIKeyQWMZGQYBEKMBIT-UHFFFAOYSA-N
XLogP3.86
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylindole;ethane?
The IUPAC name of 4-chloro-1-methylindole;ethane (CID 142062846) is 4-chloro-1-methylindole;ethane.
What is the SMILES notation for 4-chloro-1-methylindole;ethane?
The canonical SMILES for 4-chloro-1-methylindole;ethane is CC.Cn1ccc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-methylindole;ethane?
The InChIKey is QWMZGQYBEKMBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN.C2H6/c1-11-6-5-7-8(10)3-2-4-9(7)11;1-2/h2-6H,1H3;1-2H3.
What are the key properties of 4-chloro-1-methylindole;ethane?
4-chloro-1-methylindole;ethane has a molecular weight of 195.69 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylindole;ethane is sourced from PubChem (CID 142062846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).