1,3,4,10b-Tetrahydro-8-methoxypyrazino[2,1-a]isoindol-6(2H)-one

HCID 12901780

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Basic information

CAS: 79016-61-8
Standard SMILES: COc1ccc2c(c1)C(=O)N1CCNCC21
InChIKey: XWMKMVJOABPHMR-UHFFFAOYSA-N
Molecular formula: C12H14N2O2
Average molar mass: 218.25 g/mol
Monoisotopic mass: 218.10552769

Names & identifiers

Preferred name: 1,3,4,10b-Tetrahydro-8-methoxypyrazino[2,1-a]isoindol-6(2H)-one
IUPAC: 8-methoxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one

Names & synonyms

SCHEMBL11379514DTXSID9011746951,3,4,10b-Tetrahydro-8-methoxypyrazino[2,1-a]isoindol-6(2H)-one79016-61-88-Methoxy-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one

Database identifiers

CAS: 79016-61-8
PubChem CID: 12901780
DTXSID: DTXSID901174695

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 295

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