2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride

C12H10ClNO3 — CID 11218944

IUPAC2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride
SMILESCOc1ccc2[nH]c(C)c(C(=O)C(=O)Cl)c2c1
InChIInChI=1S/C12H10ClNO3/c1-6-10(11(15)12(13)16)8-5-7(17-2)3-4-9(8)14-6/h3-5,14H,1-2H3
InChIKeyWFOKFPROUZEACN-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.43
Rot. Bonds3

About 2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride

2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride (PubChem CID 11218944) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride.

Molecular Properties

Compound Name2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride
PubChem CID11218944
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride
SMILESCOc1ccc2[nH]c(C)c(C(=O)C(=O)Cl)c2c1
InChIInChI=1S/C12H10ClNO3/c1-6-10(11(15)12(13)16)8-5-7(17-2)3-4-9(8)14-6/h3-5,14H,1-2H3
InChIKeyWFOKFPROUZEACN-UHFFFAOYSA-N
XLogP2.43
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949
5-methoxy-N,N,2-trimethyl-1H-indole-3-carboxamide
CID 65335449
2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 69315136
2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 123676378
3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
CID 139937848
[2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium
CID 3714980
3-amino-6-methoxy-2-methyl-1H-quinolin-4-one
CID 91619118
3-amino-6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115039979
N-(1-aminopropan-2-yl)-5-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110833689
3,4-dichloro-6-methoxy-1H-quinolin-2-one
CID 110272519

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride?
The IUPAC name of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride (CID 11218944) is 2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride.
What is the SMILES notation for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride?
The canonical SMILES for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride is COc1ccc2[nH]c(C)c(C(=O)C(=O)Cl)c2c1.
What is the InChIKey of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride?
The InChIKey is WFOKFPROUZEACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-6-10(11(15)12(13)16)8-5-7(17-2)3-4-9(8)14-6/h3-5,14H,1-2H3.
What are the key properties of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride?
2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride has a molecular weight of 251.67 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride is sourced from PubChem (CID 11218944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).