1-(2,7-dichloro-1-methylindol-3-yl)ethanone

C11H9Cl2NO — CID 82269332

IUPAC1-(2,7-dichloro-1-methylindol-3-yl)ethanone
SMILESCC(=O)c1c(Cl)n(C)c2c(Cl)cccc12
InChIInChI=1S/C11H9Cl2NO/c1-6(15)9-7-4-3-5-8(12)10(7)14(2)11(9)13/h3-5H,1-2H3
InChIKeyNOMBQQVUVIGAGK-UHFFFAOYSA-N
MW242.10 g/mol
LogP3.69
Rot. Bonds1

About 1-(2,7-dichloro-1-methylindol-3-yl)ethanone

1-(2,7-dichloro-1-methylindol-3-yl)ethanone (PubChem CID 82269332) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is 1-(2,7-dichloro-1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,7-dichloro-1-methylindol-3-yl)ethanone
PubChem CID82269332
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name1-(2,7-dichloro-1-methylindol-3-yl)ethanone
SMILESCC(=O)c1c(Cl)n(C)c2c(Cl)cccc12
InChIInChI=1S/C11H9Cl2NO/c1-6(15)9-7-4-3-5-8(12)10(7)14(2)11(9)13/h3-5H,1-2H3
InChIKeyNOMBQQVUVIGAGK-UHFFFAOYSA-N
XLogP3.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-chloro-1,2-dimethylindol-3-yl)-2-oxoacetic acid
CID 82499374
1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone
CID 82268678
2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid
CID 82497008
1-[2-chloro-7-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
CID 82269421
1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone
CID 82269459
1-(1-butyl-2-chloro-7-methoxyindol-3-yl)ethanone
CID 82269414
1-(2,7-dichloro-1H-indol-3-yl)ethanone
CID 82269325
1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone
CID 82268767
1-(2-chloro-6-propan-2-ylphenyl)ethanone
CID 157111113
2-chloro-7-methyl-1-propylindole-3-carboxylic acid
CID 82268650
1-(2-chloro-1-propylindol-3-yl)ethanone
CID 82268364
1-(1-butyl-7-chloroindol-3-yl)ethanone
CID 117098510

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dichloro-1-methylindol-3-yl)ethanone?
The IUPAC name of 1-(2,7-dichloro-1-methylindol-3-yl)ethanone (CID 82269332) is 1-(2,7-dichloro-1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-(2,7-dichloro-1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-(2,7-dichloro-1-methylindol-3-yl)ethanone is CC(=O)c1c(Cl)n(C)c2c(Cl)cccc12.
What is the InChIKey of 1-(2,7-dichloro-1-methylindol-3-yl)ethanone?
The InChIKey is NOMBQQVUVIGAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-6(15)9-7-4-3-5-8(12)10(7)14(2)11(9)13/h3-5H,1-2H3.
What are the key properties of 1-(2,7-dichloro-1-methylindol-3-yl)ethanone?
1-(2,7-dichloro-1-methylindol-3-yl)ethanone has a molecular weight of 242.10 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dichloro-1-methylindol-3-yl)ethanone is sourced from PubChem (CID 82269332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).