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

C10H8BrNO — CID 11310936

IUPAC2-bromo-1-(1H-indol-3-yl)ethanone
SMILESO=C(CBr)c1c[nH]c2ccccc12
InChIInChI=1S/C10H8BrNO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2
InChIKeyWCDLGQZBYNBTFK-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.75
Rot. Bonds2

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

2-bromo-1-(1H-indol-3-yl)ethanone (PubChem CID 11310936) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 2-bromo-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(1H-indol-3-yl)ethanone
PubChem CID11310936
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name2-bromo-1-(1H-indol-3-yl)ethanone
SMILESO=C(CBr)c1c[nH]c2ccccc12
InChIInChI=1S/C10H8BrNO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2
InChIKeyWCDLGQZBYNBTFK-UHFFFAOYSA-N
XLogP2.75
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
[2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid
CID 102129257
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
CID 53414703
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
CID 115351482
2-(2-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339237
1-(1H-indol-3-yl)-3-methoxypropan-1-one
CID 163900089
3-amino-1-(1H-indol-3-yl)butan-1-one
CID 116915601
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide
CID 4999074

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-bromo-1-(1H-indol-3-yl)ethanone (CID 11310936) is 2-bromo-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-bromo-1-(1H-indol-3-yl)ethanone is O=C(CBr)c1c[nH]c2ccccc12.
What is the InChIKey of 2-bromo-1-(1H-indol-3-yl)ethanone?
The InChIKey is WCDLGQZBYNBTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2.
What are the key properties of 2-bromo-1-(1H-indol-3-yl)ethanone?
2-bromo-1-(1H-indol-3-yl)ethanone has a molecular weight of 238.08 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 11310936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).