5-bromo-3a,7a-dihydro-1H-indole

C8H8BrN — CID 118330293

IUPAC5-bromo-3a,7a-dihydro-1H-indole
SMILESBrC1=CC2C=CNC2C=C1
InChIInChI=1S/C8H8BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-6,8,10H
InChIKeyJPUUPCLQSHEBIT-UHFFFAOYSA-N
MW198.06 g/mol
LogP1.94
Rot. Bonds

About 5-bromo-3a,7a-dihydro-1H-indole

5-bromo-3a,7a-dihydro-1H-indole (PubChem CID 118330293) has the molecular formula C8H8BrN and a molecular weight of 198.06 g/mol. Its IUPAC name is 5-bromo-3a,7a-dihydro-1H-indole.

Molecular Properties

Compound Name5-bromo-3a,7a-dihydro-1H-indole
PubChem CID118330293
Molecular FormulaC8H8BrN
Molecular Weight198.06 g/mol
Exact Mass196.98
IUPAC Name5-bromo-3a,7a-dihydro-1H-indole
SMILESBrC1=CC2C=CNC2C=C1
InChIInChI=1S/C8H8BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-6,8,10H
InChIKeyJPUUPCLQSHEBIT-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.06
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3a,7a-dihydro-1H-indole?
The IUPAC name of 5-bromo-3a,7a-dihydro-1H-indole (CID 118330293) is 5-bromo-3a,7a-dihydro-1H-indole.
What is the SMILES notation for 5-bromo-3a,7a-dihydro-1H-indole?
The canonical SMILES for 5-bromo-3a,7a-dihydro-1H-indole is BrC1=CC2C=CNC2C=C1.
What is the InChIKey of 5-bromo-3a,7a-dihydro-1H-indole?
The InChIKey is JPUUPCLQSHEBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-6,8,10H.
What are the key properties of 5-bromo-3a,7a-dihydro-1H-indole?
5-bromo-3a,7a-dihydro-1H-indole has a molecular weight of 198.06 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3a,7a-dihydro-1H-indole is sourced from PubChem (CID 118330293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).