2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol

C13H17BrN2O — CID 22338004

IUPAC2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol
SMILESOCCN1CCN2c3cccc(Br)c3CC2C1
InChIInChI=1S/C13H17BrN2O/c14-12-2-1-3-13-11(12)8-10-9-15(6-7-17)4-5-16(10)13/h1-3,10,17H,4-9H2
InChIKeyIOFNHQHJNOXPTO-UHFFFAOYSA-N
MW297.20 g/mol
LogP1.49
Rot. Bonds2

About 2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol

2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol (PubChem CID 22338004) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol.

Molecular Properties

Compound Name2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol
PubChem CID22338004
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol
SMILESOCCN1CCN2c3cccc(Br)c3CC2C1
InChIInChI=1S/C13H17BrN2O/c14-12-2-1-3-13-11(12)8-10-9-15(6-7-17)4-5-16(10)13/h1-3,10,17H,4-9H2
InChIKeyIOFNHQHJNOXPTO-UHFFFAOYSA-N
XLogP1.49
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol?
The IUPAC name of 2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol (CID 22338004) is 2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol.
What is the SMILES notation for 2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol?
The canonical SMILES for 2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol is OCCN1CCN2c3cccc(Br)c3CC2C1.
What is the InChIKey of 2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol?
The InChIKey is IOFNHQHJNOXPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-12-2-1-3-13-11(12)8-10-9-15(6-7-17)4-5-16(10)13/h1-3,10,17H,4-9H2.
What are the key properties of 2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol?
2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol has a molecular weight of 297.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol is sourced from PubChem (CID 22338004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).