5-chloro-3-methyl-3-propylindole

C12H14ClN — CID 71423472

IUPAC5-chloro-3-methyl-3-propylindole
SMILESCCCC1(C)C=Nc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClN/c1-3-6-12(2)8-14-11-5-4-9(13)7-10(11)12/h4-5,7-8H,3,6H2,1-2H3
InChIKeyCIOYEWWCCGQGFC-UHFFFAOYSA-N
MW207.70 g/mol
LogP4.11
Rot. Bonds2

About 5-chloro-3-methyl-3-propylindole

5-chloro-3-methyl-3-propylindole (PubChem CID 71423472) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 5-chloro-3-methyl-3-propylindole.

Molecular Properties

Compound Name5-chloro-3-methyl-3-propylindole
PubChem CID71423472
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name5-chloro-3-methyl-3-propylindole
SMILESCCCC1(C)C=Nc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClN/c1-3-6-12(2)8-14-11-5-4-9(13)7-10(11)12/h4-5,7-8H,3,6H2,1-2H3
InChIKeyCIOYEWWCCGQGFC-UHFFFAOYSA-N
XLogP4.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-3-propylindole?
The IUPAC name of 5-chloro-3-methyl-3-propylindole (CID 71423472) is 5-chloro-3-methyl-3-propylindole.
What is the SMILES notation for 5-chloro-3-methyl-3-propylindole?
The canonical SMILES for 5-chloro-3-methyl-3-propylindole is CCCC1(C)C=Nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-methyl-3-propylindole?
The InChIKey is CIOYEWWCCGQGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-3-6-12(2)8-14-11-5-4-9(13)7-10(11)12/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 5-chloro-3-methyl-3-propylindole?
5-chloro-3-methyl-3-propylindole has a molecular weight of 207.70 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-3-propylindole is sourced from PubChem (CID 71423472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).