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

C12H13BrN2O — CID 133057369

IUPAC8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
SMILESO=C1CNCC2c3cccc(Br)c3CCN12
InChIInChI=1S/C12H13BrN2O/c13-10-3-1-2-9-8(10)4-5-15-11(9)6-14-7-12(15)16/h1-3,11,14H,4-7H2
InChIKeyFOGRFRZPBQQRMB-UHFFFAOYSA-N
MW281.15 g/mol
LogP1.48
Rot. Bonds

About 8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one

8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one (PubChem CID 133057369) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
PubChem CID133057369
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
SMILESO=C1CNCC2c3cccc(Br)c3CCN12
InChIInChI=1S/C12H13BrN2O/c13-10-3-1-2-9-8(10)4-5-15-11(9)6-14-7-12(15)16/h1-3,11,14H,4-7H2
InChIKeyFOGRFRZPBQQRMB-UHFFFAOYSA-N
XLogP1.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
CID 129137385
9-chloro-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
CID 133058992
2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
CID 117002775
9-bromo-8-fluoro-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carboxylic acid
CID 141471371
(5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 83693378
(6R,7aS)-2-[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 99797440
1-(4-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxylic acid
CID 114081164
7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 82026820
1,4-dibromo-2,3-dihydro-1H-indene
CID 63272450
(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone
CID 119312758
3-[(5-bromo-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]propanoic acid
CID 122018001
1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpiperidine
CID 169410282

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one?
The IUPAC name of 8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one (CID 133057369) is 8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one.
What is the SMILES notation for 8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one?
The canonical SMILES for 8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one is O=C1CNCC2c3cccc(Br)c3CCN12.
What is the InChIKey of 8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one?
The InChIKey is FOGRFRZPBQQRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-10-3-1-2-9-8(10)4-5-15-11(9)6-14-7-12(15)16/h1-3,11,14H,4-7H2.
What are the key properties of 8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one?
8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one has a molecular weight of 281.15 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one is sourced from PubChem (CID 133057369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).