7-chloro-3-propyl-2,3-dihydro-1H-indole

C11H14ClN — CID 106985714

IUPAC7-chloro-3-propyl-2,3-dihydro-1H-indole
SMILESCCCC1CNc2c(Cl)cccc21
InChIInChI=1S/C11H14ClN/c1-2-4-8-7-13-11-9(8)5-3-6-10(11)12/h3,5-6,8,13H,2,4,7H2,1H3
InChIKeyMXUQHYMHXAGQHG-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.65
Rot. Bonds2

About 7-chloro-3-propyl-2,3-dihydro-1H-indole

7-chloro-3-propyl-2,3-dihydro-1H-indole (PubChem CID 106985714) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 7-chloro-3-propyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-chloro-3-propyl-2,3-dihydro-1H-indole
PubChem CID106985714
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name7-chloro-3-propyl-2,3-dihydro-1H-indole
SMILESCCCC1CNc2c(Cl)cccc21
InChIInChI=1S/C11H14ClN/c1-2-4-8-7-13-11-9(8)5-3-6-10(11)12/h3,5-6,8,13H,2,4,7H2,1H3
InChIKeyMXUQHYMHXAGQHG-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-propyl-2,3-dihydro-1H-indole?
The IUPAC name of 7-chloro-3-propyl-2,3-dihydro-1H-indole (CID 106985714) is 7-chloro-3-propyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-chloro-3-propyl-2,3-dihydro-1H-indole?
The canonical SMILES for 7-chloro-3-propyl-2,3-dihydro-1H-indole is CCCC1CNc2c(Cl)cccc21.
What is the InChIKey of 7-chloro-3-propyl-2,3-dihydro-1H-indole?
The InChIKey is MXUQHYMHXAGQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-2-4-8-7-13-11-9(8)5-3-6-10(11)12/h3,5-6,8,13H,2,4,7H2,1H3.
What are the key properties of 7-chloro-3-propyl-2,3-dihydro-1H-indole?
7-chloro-3-propyl-2,3-dihydro-1H-indole has a molecular weight of 195.69 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-propyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 106985714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).