1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone

C10H10BrNO — CID 84701796

IUPAC1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone
SMILESCC(=O)c1cc(Br)c2c(c1)CCN2
InChIInChI=1S/C10H10BrNO/c1-6(13)8-4-7-2-3-12-10(7)9(11)5-8/h4-5,12H,2-3H2,1H3
InChIKeyLFQOAAKVYBKDKF-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.62
Rot. Bonds1

About 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone

1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone (PubChem CID 84701796) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone
PubChem CID84701796
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone
SMILESCC(=O)c1cc(Br)c2c(c1)CCN2
InChIInChI=1S/C10H10BrNO/c1-6(13)8-4-7-2-3-12-10(7)9(11)5-8/h4-5,12H,2-3H2,1H3
InChIKeyLFQOAAKVYBKDKF-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone?
The IUPAC name of 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone (CID 84701796) is 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone.
What is the SMILES notation for 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone?
The canonical SMILES for 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone is CC(=O)c1cc(Br)c2c(c1)CCN2.
What is the InChIKey of 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone?
The InChIKey is LFQOAAKVYBKDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-6(13)8-4-7-2-3-12-10(7)9(11)5-8/h4-5,12H,2-3H2,1H3.
What are the key properties of 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone?
1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone has a molecular weight of 240.10 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone is sourced from PubChem (CID 84701796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).