1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one

C12H14N2O — CID 6453168

IUPAC1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
SMILESO=C1CNCC2c3ccccc3CCN12
InChIInChI=1S/C12H14N2O/c15-12-8-13-7-11-10-4-2-1-3-9(10)5-6-14(11)12/h1-4,11,13H,5-8H2
InChIKeyGTRDOUXISKJZGL-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.72
Rot. Bonds

About 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one

1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one (PubChem CID 6453168) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
PubChem CID6453168
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
SMILESO=C1CNCC2c3ccccc3CCN12
InChIInChI=1S/C12H14N2O/c15-12-8-13-7-11-10-4-2-1-3-9(10)5-6-14(11)12/h1-4,11,13H,5-8H2
InChIKeyGTRDOUXISKJZGL-UHFFFAOYSA-N
XLogP0.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one?
The IUPAC name of 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one (CID 6453168) is 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one.
What is the SMILES notation for 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one?
The canonical SMILES for 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one is O=C1CNCC2c3ccccc3CCN12.
What is the InChIKey of 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one?
The InChIKey is GTRDOUXISKJZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c15-12-8-13-7-11-10-4-2-1-3-9(10)5-6-14(11)12/h1-4,11,13H,5-8H2.
What are the key properties of 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one?
1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one has a molecular weight of 202.26 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one is sourced from PubChem (CID 6453168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).