(2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole

C9H10ClN — CID 129375705

IUPAC(2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole
SMILESC[C@H]1Cc2c(Cl)cccc2N1
InChIInChI=1S/C9H10ClN/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-4,6,11H,5H2,1H3/t6-/m0/s1
InChIKeyYOYCNNJAIOQWMD-LURJTMIESA-N
MW167.64 g/mol
LogP2.70
Rot. Bonds

About (2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole

(2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole (PubChem CID 129375705) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is (2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole
PubChem CID129375705
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name(2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole
SMILESC[C@H]1Cc2c(Cl)cccc2N1
InChIInChI=1S/C9H10ClN/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-4,6,11H,5H2,1H3/t6-/m0/s1
InChIKeyYOYCNNJAIOQWMD-LURJTMIESA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-methyl-2,3-dihydro-1H-indole
CID 57388225
2-methyl-2,3-dihydro-1H-indol-4-amine
CID 130045562
(2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-indole
CID 130614963
2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid
CID 117202955
2-(4-chloro-2,3-dihydro-1H-indol-2-yl)ethanol
CID 117198606
1-(4-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine
CID 117198682
(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591
(2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline
CID 124706639
6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84720667
(1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole
CID 131080602
(2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 130615096
acetic acid;acetyl acetate;2-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 90984715

Frequently Asked Questions

What is the IUPAC name of (2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole?
The IUPAC name of (2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole (CID 129375705) is (2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for (2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for (2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole is C[C@H]1Cc2c(Cl)cccc2N1.
What is the InChIKey of (2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole?
The InChIKey is YOYCNNJAIOQWMD-LURJTMIESA-N. The full InChI is InChI=1S/C9H10ClN/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-4,6,11H,5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole?
(2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole has a molecular weight of 167.64 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 129375705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).