5-chloro-2,3-dihydro-1H-indole;hydrochloride

C8H9Cl2N — CID 57345871

IUPAC5-chloro-2,3-dihydro-1H-indole;hydrochloride
SMILESCl.Clc1ccc2c(c1)CCN2
InChIInChI=1S/C8H8ClN.ClH/c9-7-1-2-8-6(5-7)3-4-10-8;/h1-2,5,10H,3-4H2;1H
InChIKeyPUGXFVNHRAMBQK-UHFFFAOYSA-N
MW190.07 g/mol
LogP2.73
Rot. Bonds

About 5-chloro-2,3-dihydro-1H-indole;hydrochloride

5-chloro-2,3-dihydro-1H-indole;hydrochloride (PubChem CID 57345871) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is 5-chloro-2,3-dihydro-1H-indole;hydrochloride.

Molecular Properties

Compound Name5-chloro-2,3-dihydro-1H-indole;hydrochloride
PubChem CID57345871
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name5-chloro-2,3-dihydro-1H-indole;hydrochloride
SMILESCl.Clc1ccc2c(c1)CCN2
InChIInChI=1S/C8H8ClN.ClH/c9-7-1-2-8-6(5-7)3-4-10-8;/h1-2,5,10H,3-4H2;1H
InChIKeyPUGXFVNHRAMBQK-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-chloro-2,3-dihydro-1H-indole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dihydro-1H-indole;hydrochloride?
The IUPAC name of 5-chloro-2,3-dihydro-1H-indole;hydrochloride (CID 57345871) is 5-chloro-2,3-dihydro-1H-indole;hydrochloride.
What is the SMILES notation for 5-chloro-2,3-dihydro-1H-indole;hydrochloride?
The canonical SMILES for 5-chloro-2,3-dihydro-1H-indole;hydrochloride is Cl.Clc1ccc2c(c1)CCN2.
What is the InChIKey of 5-chloro-2,3-dihydro-1H-indole;hydrochloride?
The InChIKey is PUGXFVNHRAMBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN.ClH/c9-7-1-2-8-6(5-7)3-4-10-8;/h1-2,5,10H,3-4H2;1H.
What are the key properties of 5-chloro-2,3-dihydro-1H-indole;hydrochloride?
5-chloro-2,3-dihydro-1H-indole;hydrochloride has a molecular weight of 190.07 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydro-1H-indole;hydrochloride is sourced from PubChem (CID 57345871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).