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

C8H8ClN — CID 14795868

IUPAC4-chloro-2,3-dihydro-1H-isoindole
SMILESClc1cccc2c1CNC2
InChIInChI=1S/C8H8ClN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,10H,4-5H2
InChIKeyXYHJVLXLZOTUKL-UHFFFAOYSA-N
MW153.61 g/mol
LogP1.94
Rot. Bonds

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

4-chloro-2,3-dihydro-1H-isoindole (PubChem CID 14795868) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is 4-chloro-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-chloro-2,3-dihydro-1H-isoindole
PubChem CID14795868
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name4-chloro-2,3-dihydro-1H-isoindole
SMILESClc1cccc2c1CNC2
InChIInChI=1S/C8H8ClN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,10H,4-5H2
InChIKeyXYHJVLXLZOTUKL-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isoindoline
CID 422478
8-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
Benzenemethanamine, 3-chloro-N-methyl-
CID 122721
Benzenemethanamine, 2-chloro-N-methyl-
CID 66754
4-Chloro-2-(imidazolin-2-yl)isoindoline
CID 127951
2,3-dihydro-1H-isoindole hydrochloride
CID 12311031
N-(3-Chlorobenzyl)ethanamine
CID 457583
5-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595083
2-(4-Chlorophenyl)pyrrolidine
CID 592391
Aganodine
CID 176878
1-(2-Chlorobenzyl)pyrrolidine
CID 409434
2-(3-Chlorophenyl)pyrrolidine
CID 4579806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-dihydro-1H-isoindole?
The IUPAC name of 4-chloro-2,3-dihydro-1H-isoindole (CID 14795868) is 4-chloro-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4-chloro-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4-chloro-2,3-dihydro-1H-isoindole is Clc1cccc2c1CNC2.
What is the InChIKey of 4-chloro-2,3-dihydro-1H-isoindole?
The InChIKey is XYHJVLXLZOTUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,10H,4-5H2.
What are the key properties of 4-chloro-2,3-dihydro-1H-isoindole?
4-chloro-2,3-dihydro-1H-isoindole has a molecular weight of 153.61 g/mol, XLogP of 1.94, 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-isoindole is sourced from PubChem (CID 14795868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).