4-chloro-2,3-dihydro-1H-indole

C8H8ClN — CID 3016306

IUPAC4-chloro-2,3-dihydro-1H-indole
SMILESClc1cccc2c1CCN2
InChIInChI=1S/C8H8ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2
InChIKeyBBHMZHDPVNXFMI-UHFFFAOYSA-N
MW153.61 g/mol
LogP2.31
Rot. Bonds

About 4-chloro-2,3-dihydro-1H-indole

4-chloro-2,3-dihydro-1H-indole (PubChem CID 3016306) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is 4-chloro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-chloro-2,3-dihydro-1H-indole
PubChem CID3016306
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name4-chloro-2,3-dihydro-1H-indole
SMILESClc1cccc2c1CCN2
InChIInChI=1S/C8H8ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2
InChIKeyBBHMZHDPVNXFMI-UHFFFAOYSA-N
XLogP2.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-2,3-dihydro-1H-indole with MolForge

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

Launch Full Analysis

Related Compounds

Indoline
CID 10328
2-Methylindoline
CID 23305
2-chloro-6-tetrahydro-1H-pyrrol-1-ylbenzonitrile
CID 2804367
5-Chloroindoline
CID 117596
(4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 29943048
5-Fluoroindoline
CID 2774463
4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride
CID 14064737
4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydroindole
CID 14064744
7-Chloro-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 9859144
(4R,10aS)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 9899500
(S)-2-(6-Chloro-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 18735313
(S)-2-(6-Chloro-5-fluoro-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 44316017

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-dihydro-1H-indole?
The IUPAC name of 4-chloro-2,3-dihydro-1H-indole (CID 3016306) is 4-chloro-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-chloro-2,3-dihydro-1H-indole?
The canonical SMILES for 4-chloro-2,3-dihydro-1H-indole is Clc1cccc2c1CCN2.
What is the InChIKey of 4-chloro-2,3-dihydro-1H-indole?
The InChIKey is BBHMZHDPVNXFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2.
What are the key properties of 4-chloro-2,3-dihydro-1H-indole?
4-chloro-2,3-dihydro-1H-indole has a molecular weight of 153.61 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-dihydro-1H-indole is sourced from PubChem (CID 3016306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).