2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone

C11H10ClNO — CID 723221

IUPAC2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CCl
InChIInChI=1S/C11H10ClNO/c1-7-11(10(14)6-12)8-4-2-3-5-9(8)13-7/h2-5,13H,6H2,1H3
InChIKeyGEACTTPEMXZJFB-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.90
Rot. Bonds2

About 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone

2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 723221) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID723221
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CCl
InChIInChI=1S/C11H10ClNO/c1-7-11(10(14)6-12)8-4-2-3-5-9(8)13-7/h2-5,13H,6H2,1H3
InChIKeyGEACTTPEMXZJFB-UHFFFAOYSA-N
XLogP2.90
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone (CID 723221) is 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CCl.
What is the InChIKey of 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is GEACTTPEMXZJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-7-11(10(14)6-12)8-4-2-3-5-9(8)13-7/h2-5,13H,6H2,1H3.
What are the key properties of 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone?
2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 207.66 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 723221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).