(1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole

C9H10ClN — CID 131080602

IUPAC(1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole
SMILESC[C@H]1NCc2c(Cl)cccc21
InChIInChI=1S/C9H10ClN/c1-6-7-3-2-4-9(10)8(7)5-11-6/h2-4,6,11H,5H2,1H3/t6-/m1/s1
InChIKeyRIASFLXJTGZLJH-ZCFIWIBFSA-N
MW167.64 g/mol
LogP2.50
Rot. Bonds

About (1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole

(1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole (PubChem CID 131080602) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is (1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name(1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole
PubChem CID131080602
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name(1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole
SMILESC[C@H]1NCc2c(Cl)cccc21
InChIInChI=1S/C9H10ClN/c1-6-7-3-2-4-9(10)8(7)5-11-6/h2-4,6,11H,5H2,1H3/t6-/m1/s1
InChIKeyRIASFLXJTGZLJH-ZCFIWIBFSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-iodo-1-methyl-2,3-dihydro-1H-isoindole
CID 130040375
(4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 86317043
6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84720667
5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline
CID 142693137
5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
CID 147578197
5-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 62374078
(2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole
CID 129375705
2-(2,3-dichlorophenyl)-3-methylpyrrolidine
CID 3523837
(3S,4S)-8-chloro-3-methyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
CID 161082313
6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 167716546
8-chloro-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
CID 170902958
N-[(8-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]ethanamine
CID 105482668

Frequently Asked Questions

What is the IUPAC name of (1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole?
The IUPAC name of (1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole (CID 131080602) is (1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for (1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for (1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole is C[C@H]1NCc2c(Cl)cccc21.
What is the InChIKey of (1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole?
The InChIKey is RIASFLXJTGZLJH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10ClN/c1-6-7-3-2-4-9(10)8(7)5-11-6/h2-4,6,11H,5H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole?
(1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole has a molecular weight of 167.64 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 131080602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).