1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone

C12H12BrNO — CID 82372708

IUPAC1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone
SMILESCCc1cccc2c(Br)c(C(C)=O)[nH]c12
InChIInChI=1S/C12H12BrNO/c1-3-8-5-4-6-9-10(13)11(7(2)15)14-12(8)9/h4-6,14H,3H2,1-2H3
InChIKeyGTSYQWRDYPPIEZ-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.70
Rot. Bonds2

About 1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone

1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone (PubChem CID 82372708) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone
PubChem CID82372708
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone
SMILESCCc1cccc2c(Br)c(C(C)=O)[nH]c12
InChIInChI=1S/C12H12BrNO/c1-3-8-5-4-6-9-10(13)11(7(2)15)14-12(8)9/h4-6,14H,3H2,1-2H3
InChIKeyGTSYQWRDYPPIEZ-UHFFFAOYSA-N
XLogP3.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone?
The IUPAC name of 1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone (CID 82372708) is 1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone?
The canonical SMILES for 1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone is CCc1cccc2c(Br)c(C(C)=O)[nH]c12.
What is the InChIKey of 1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone?
The InChIKey is GTSYQWRDYPPIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-3-8-5-4-6-9-10(13)11(7(2)15)14-12(8)9/h4-6,14H,3H2,1-2H3.
What are the key properties of 1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone?
1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone has a molecular weight of 266.14 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone is sourced from PubChem (CID 82372708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).