8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one

C11H11BrN2O — CID 84742972

IUPAC8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
SMILESO=C1CNCC2Cc3cc(Br)ccc3N12
InChIInChI=1S/C11H11BrN2O/c12-8-1-2-10-7(3-8)4-9-5-13-6-11(15)14(9)10/h1-3,9,13H,4-6H2
InChIKeyMPDYHBLSIQJPNZ-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.31
Rot. Bonds

About 8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one

8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one (PubChem CID 84742972) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one.

Molecular Properties

Compound Name8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
PubChem CID84742972
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
SMILESO=C1CNCC2Cc3cc(Br)ccc3N12
InChIInChI=1S/C11H11BrN2O/c12-8-1-2-10-7(3-8)4-9-5-13-6-11(15)14(9)10/h1-3,9,13H,4-6H2
InChIKeyMPDYHBLSIQJPNZ-UHFFFAOYSA-N
XLogP1.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The IUPAC name of 8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one (CID 84742972) is 8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one.
What is the SMILES notation for 8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The canonical SMILES for 8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one is O=C1CNCC2Cc3cc(Br)ccc3N12.
What is the InChIKey of 8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The InChIKey is MPDYHBLSIQJPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-8-1-2-10-7(3-8)4-9-5-13-6-11(15)14(9)10/h1-3,9,13H,4-6H2.
What are the key properties of 8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one has a molecular weight of 267.13 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one is sourced from PubChem (CID 84742972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).