1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone

C12H12ClNO — CID 82494396

IUPAC1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c(C)[nH]c2c(C)c(Cl)ccc12
InChIInChI=1S/C12H12ClNO/c1-6-10(13)5-4-9-11(8(3)15)7(2)14-12(6)9/h4-5,14H,1-3H3
InChIKeyQXSWGTVLTDISAW-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.64
Rot. Bonds1

About 1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone

1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone (PubChem CID 82494396) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone
PubChem CID82494396
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c(C)[nH]c2c(C)c(Cl)ccc12
InChIInChI=1S/C12H12ClNO/c1-6-10(13)5-4-9-11(8(3)15)7(2)14-12(6)9/h4-5,14H,1-3H3
InChIKeyQXSWGTVLTDISAW-UHFFFAOYSA-N
XLogP3.64
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone (CID 82494396) is 1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone is CC(=O)c1c(C)[nH]c2c(C)c(Cl)ccc12.
What is the InChIKey of 1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone?
The InChIKey is QXSWGTVLTDISAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-6-10(13)5-4-9-11(8(3)15)7(2)14-12(6)9/h4-5,14H,1-3H3.
What are the key properties of 1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone?
1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone has a molecular weight of 221.69 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 82494396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).