1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone

C11H10BrNO — CID 82382387

IUPAC1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c(C)[nH]c2cccc(Br)c12
InChIInChI=1S/C11H10BrNO/c1-6-10(7(2)14)11-8(12)4-3-5-9(11)13-6/h3-5,13H,1-2H3
InChIKeyVTCGONZOPAZETN-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.44
Rot. Bonds1

About 1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone

1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone (PubChem CID 82382387) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone
PubChem CID82382387
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c(C)[nH]c2cccc(Br)c12
InChIInChI=1S/C11H10BrNO/c1-6-10(7(2)14)11-8(12)4-3-5-9(11)13-6/h3-5,13H,1-2H3
InChIKeyVTCGONZOPAZETN-UHFFFAOYSA-N
XLogP3.44
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-bromo-2-methyl-1H-indole-3-carboxylate
CID 130049441
1-(2-bromo-6-hydroxyphenyl)ethanone
CID 53407096
2-(aminomethyl)-3-(4-bromo-2-methyl-1H-indol-3-yl)propanoic acid
CID 153346410
bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 143294111
1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 110850307
ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate
CID 54708469
2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile
CID 66738785
1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone
CID 158702400
N-(4-acetamidophenyl)-2,4-dimethyl-1H-indole-3-carboxamide
CID 110861432
2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone
CID 53212190
methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate
CID 121220626
3,4-dibromo-1H-indol-2-ol
CID 163362581

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone (CID 82382387) is 1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone is CC(=O)c1c(C)[nH]c2cccc(Br)c12.
What is the InChIKey of 1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is VTCGONZOPAZETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-6-10(7(2)14)11-8(12)4-3-5-9(11)13-6/h3-5,13H,1-2H3.
What are the key properties of 1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone?
1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 252.11 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 82382387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).