6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole

C12H14BrN — CID 82276816

IUPAC6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole
SMILESBrc1ccc2c(c1)C1CCCCC1N2
InChIInChI=1S/C12H14BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,9,11,14H,1-4H2
InChIKeyFWGKDJGZEJDJEF-UHFFFAOYSA-N
MW252.15 g/mol
LogP3.90
Rot. Bonds

About 6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole

6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole (PubChem CID 82276816) has the molecular formula C12H14BrN and a molecular weight of 252.15 g/mol. Its IUPAC name is 6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole.

Molecular Properties

Compound Name6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole
PubChem CID82276816
Molecular FormulaC12H14BrN
Molecular Weight252.15 g/mol
Exact Mass251.03
IUPAC Name6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole
SMILESBrc1ccc2c(c1)C1CCCCC1N2
InChIInChI=1S/C12H14BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,9,11,14H,1-4H2
InChIKeyFWGKDJGZEJDJEF-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole?
The IUPAC name of 6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole (CID 82276816) is 6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole.
What is the SMILES notation for 6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole?
The canonical SMILES for 6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole is Brc1ccc2c(c1)C1CCCCC1N2.
What is the InChIKey of 6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole?
The InChIKey is FWGKDJGZEJDJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,9,11,14H,1-4H2.
What are the key properties of 6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole?
6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole has a molecular weight of 252.15 g/mol, XLogP of 3.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3,4,4a,9,9a-hexahydro-1H-carbazole is sourced from PubChem (CID 82276816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).