3,3-dibromo-2-ethyl-1,2-dihydroindole

C10H11Br2N — CID 176573837

IUPAC3,3-dibromo-2-ethyl-1,2-dihydroindole
SMILESCCC1Nc2ccccc2C1(Br)Br
InChIInChI=1S/C10H11Br2N/c1-2-9-10(11,12)7-5-3-4-6-8(7)13-9/h3-6,9,13H,2H2,1H3
InChIKeyHWJWRJLFTRXOLE-UHFFFAOYSA-N
MW305.01 g/mol
LogP3.83
Rot. Bonds1

About 3,3-dibromo-2-ethyl-1,2-dihydroindole

3,3-dibromo-2-ethyl-1,2-dihydroindole (PubChem CID 176573837) has the molecular formula C10H11Br2N and a molecular weight of 305.01 g/mol. Its IUPAC name is 3,3-dibromo-2-ethyl-1,2-dihydroindole.

Molecular Properties

Compound Name3,3-dibromo-2-ethyl-1,2-dihydroindole
PubChem CID176573837
Molecular FormulaC10H11Br2N
Molecular Weight305.01 g/mol
Exact Mass302.93
IUPAC Name3,3-dibromo-2-ethyl-1,2-dihydroindole
SMILESCCC1Nc2ccccc2C1(Br)Br
InChIInChI=1S/C10H11Br2N/c1-2-9-10(11,12)7-5-3-4-6-8(7)13-9/h3-6,9,13H,2H2,1H3
InChIKeyHWJWRJLFTRXOLE-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.01
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,3-dibromo-2-ethyl-1,2-dihydroindole?
The IUPAC name of 3,3-dibromo-2-ethyl-1,2-dihydroindole (CID 176573837) is 3,3-dibromo-2-ethyl-1,2-dihydroindole.
What is the SMILES notation for 3,3-dibromo-2-ethyl-1,2-dihydroindole?
The canonical SMILES for 3,3-dibromo-2-ethyl-1,2-dihydroindole is CCC1Nc2ccccc2C1(Br)Br.
What is the InChIKey of 3,3-dibromo-2-ethyl-1,2-dihydroindole?
The InChIKey is HWJWRJLFTRXOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N/c1-2-9-10(11,12)7-5-3-4-6-8(7)13-9/h3-6,9,13H,2H2,1H3.
What are the key properties of 3,3-dibromo-2-ethyl-1,2-dihydroindole?
3,3-dibromo-2-ethyl-1,2-dihydroindole has a molecular weight of 305.01 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibromo-2-ethyl-1,2-dihydroindole is sourced from PubChem (CID 176573837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).