1-(5-bromo-2,3-dihydroindol-1-yl)ethanone

C10H10BrNO — CID 721847

IUPAC1-(5-bromo-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(Br)ccc21
InChIInChI=1S/C10H10BrNO/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5H2,1H3
InChIKeyWQKQAIXOTCPWFE-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.36
Rot. Bonds

About 1-(5-bromo-2,3-dihydroindol-1-yl)ethanone

1-(5-bromo-2,3-dihydroindol-1-yl)ethanone (PubChem CID 721847) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydroindol-1-yl)ethanone
PubChem CID721847
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name1-(5-bromo-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(Br)ccc21
InChIInChI=1S/C10H10BrNO/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5H2,1H3
InChIKeyWQKQAIXOTCPWFE-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(5-bromo-2,3-dihydroindol-1-yl)ethanone (CID 721847) is 1-(5-bromo-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(5-bromo-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is WQKQAIXOTCPWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(5-bromo-2,3-dihydroindol-1-yl)ethanone?
1-(5-bromo-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 240.10 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 721847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).