Basic information
- CAS
21530-69-8- Standard SMILES
CC(=O)N1CCN2c3ccccc3CCC2C1- InChIKey
SAPAWHGNIMQFMR-UHFFFAOYSA-N- Molecular formula
- C14H18N2O
- Average molar mass
- 230.31 g/mol
- Monoisotopic mass
- 230.1419132
Names & identifiers
- Preferred name
- 1H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-acetyl-
- IUPAC
- 1-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethanone
- English name
- 3-Acetyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
- Molecular formula
- C14H18N2O
- Molecular weight
- 230.31
Names & synonyms
BRN 001956621530-69-81H-Pyrazino(1,2-a)quinoline, 3-acetyl-2,3,4,4a,5,6-hexahydro-1H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-acetyl-4-23-00-01199 (Beilstein Handbook Reference)RefChem:239685DTXSID009441373-Acetyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline1-(1,2,4,4a,5,6-Hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl)ethan-1-oneEthanone, 1-(1,2,4,4a,5,6-hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl)-
Database identifiers
- CAS
21530-69-8- PubChem CID
- 89509
- DTXSID
DTXSID00944137- Nikkaji
- J51.192G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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