5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole

C11H12BrN — CID 83897933

IUPAC5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole
SMILESBrc1cccc2c1CC1CCNC21
InChIInChI=1S/C11H12BrN/c12-10-3-1-2-8-9(10)6-7-4-5-13-11(7)8/h1-3,7,11,13H,4-6H2
InChIKeyJHLRYXJUSAUIEL-UHFFFAOYSA-N
MW238.13 g/mol
LogP2.66
Rot. Bonds

About 5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole

5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole (PubChem CID 83897933) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole.

Molecular Properties

Compound Name5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole
PubChem CID83897933
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole
SMILESBrc1cccc2c1CC1CCNC21
InChIInChI=1S/C11H12BrN/c12-10-3-1-2-8-9(10)6-7-4-5-13-11(7)8/h1-3,7,11,13H,4-6H2
InChIKeyJHLRYXJUSAUIEL-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole?
The IUPAC name of 5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole (CID 83897933) is 5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole.
What is the SMILES notation for 5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole?
The canonical SMILES for 5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole is Brc1cccc2c1CC1CCNC21.
What is the InChIKey of 5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole?
The InChIKey is JHLRYXJUSAUIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c12-10-3-1-2-8-9(10)6-7-4-5-13-11(7)8/h1-3,7,11,13H,4-6H2.
What are the key properties of 5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole?
5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole has a molecular weight of 238.13 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole is sourced from PubChem (CID 83897933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).