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

C8H8BrN — CID 89468565

IUPAC6-bromo-3a,7a-dihydro-1H-indole
SMILESBrC1=CC2NC=CC2C=C1
InChIInChI=1S/C8H8BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-6,8,10H
InChIKeyONPJTXLWDDQPCQ-UHFFFAOYSA-N
MW198.06 g/mol
LogP1.94
Rot. Bonds

About 6-bromo-3a,7a-dihydro-1H-indole

6-bromo-3a,7a-dihydro-1H-indole (PubChem CID 89468565) has the molecular formula C8H8BrN and a molecular weight of 198.06 g/mol. Its IUPAC name is 6-bromo-3a,7a-dihydro-1H-indole.

Molecular Properties

Compound Name6-bromo-3a,7a-dihydro-1H-indole
PubChem CID89468565
Molecular FormulaC8H8BrN
Molecular Weight198.06 g/mol
Exact Mass196.98
IUPAC Name6-bromo-3a,7a-dihydro-1H-indole
SMILESBrC1=CC2NC=CC2C=C1
InChIInChI=1S/C8H8BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-6,8,10H
InChIKeyONPJTXLWDDQPCQ-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 6-bromo-3a,7a-dihydro-1H-indole?
The IUPAC name of 6-bromo-3a,7a-dihydro-1H-indole (CID 89468565) is 6-bromo-3a,7a-dihydro-1H-indole.
What is the SMILES notation for 6-bromo-3a,7a-dihydro-1H-indole?
The canonical SMILES for 6-bromo-3a,7a-dihydro-1H-indole is BrC1=CC2NC=CC2C=C1.
What is the InChIKey of 6-bromo-3a,7a-dihydro-1H-indole?
The InChIKey is ONPJTXLWDDQPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-6,8,10H.
What are the key properties of 6-bromo-3a,7a-dihydro-1H-indole?
6-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 6-bromo-3a,7a-dihydro-1H-indole is sourced from PubChem (CID 89468565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).