2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone

C10H10BrNO2 — CID 155747178

IUPAC2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone
SMILESO=C(CBr)c1ccc2c(c1)CC(O)N2
InChIInChI=1S/C10H10BrNO2/c11-5-9(13)6-1-2-8-7(3-6)4-10(14)12-8/h1-3,10,12,14H,4-5H2
InChIKeyKLSRGWFESMFKOP-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.55
Rot. Bonds2

About 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone

2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone (PubChem CID 155747178) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone
PubChem CID155747178
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone
SMILESO=C(CBr)c1ccc2c(c1)CC(O)N2
InChIInChI=1S/C10H10BrNO2/c11-5-9(13)6-1-2-8-7(3-6)4-10(14)12-8/h1-3,10,12,14H,4-5H2
InChIKeyKLSRGWFESMFKOP-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone?
The IUPAC name of 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone (CID 155747178) is 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone?
The canonical SMILES for 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone is O=C(CBr)c1ccc2c(c1)CC(O)N2.
What is the InChIKey of 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone?
The InChIKey is KLSRGWFESMFKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-5-9(13)6-1-2-8-7(3-6)4-10(14)12-8/h1-3,10,12,14H,4-5H2.
What are the key properties of 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone?
2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone has a molecular weight of 256.10 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone is sourced from PubChem (CID 155747178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).