1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone

C11H12ClNO — CID 117199908

IUPAC1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone
SMILESCC(=O)C1CN(C)c2cccc(Cl)c21
InChIInChI=1S/C11H12ClNO/c1-7(14)8-6-13(2)10-5-3-4-9(12)11(8)10/h3-5,8H,6H2,1-2H3
InChIKeyUSBFHAGXJLMQLI-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.46
Rot. Bonds1

About 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone

1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone (PubChem CID 117199908) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone
PubChem CID117199908
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone
SMILESCC(=O)C1CN(C)c2cccc(Cl)c21
InChIInChI=1S/C11H12ClNO/c1-7(14)8-6-13(2)10-5-3-4-9(12)11(8)10/h3-5,8H,6H2,1-2H3
InChIKeyUSBFHAGXJLMQLI-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 117199896
2-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200003
3-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200014
4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid
CID 117200421
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117199954
4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole
CID 162418568
4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one
CID 22759477
4-chloro-1-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117199940
3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200175
3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
CID 117200176
1-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol
CID 117200061
2-[5-(2,6-dichlorophenyl)-3-methyl-1,3-oxazolidin-2-ylidene]propanedinitrile
CID 14711608

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone?
The IUPAC name of 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone (CID 117199908) is 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone?
The canonical SMILES for 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone is CC(=O)C1CN(C)c2cccc(Cl)c21.
What is the InChIKey of 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone?
The InChIKey is USBFHAGXJLMQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-7(14)8-6-13(2)10-5-3-4-9(12)11(8)10/h3-5,8H,6H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone?
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone has a molecular weight of 209.68 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone is sourced from PubChem (CID 117199908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).