Basic information
- CAS
214143-79-0- Standard SMILES
O=C1Nc2ccccc2N2CCC[C@H]12- InChIKey
GWPNDQCLPKQEPD-SNVBAGLBSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
Names & identifiers
- Preferred name
- (3aR)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
- IUPAC
- (3aR)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
- English name
- Pyrrolo[1,2-a]quinoxalin-4(5H)-one, 1,2,3,3a-tetrahydro-, (3aR)- (9CI)
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
214143-79-0SCHEMBL7981536(3AR)-1,2,3,3A-TETRAHYDROPYRROLO[1,2-A]QUINOXALIN-4(5H)-ONEPyrrolo[1,2-a]quinoxalin-4(5H)-one, 1,2,3,3a-tetrahydro-, (3aR)-Pyrrolo[1,2-a]quinoxalin-4(5H)-one, 1,2,3,3a-tetrahydro-, (3aR)- (9CI)
Database identifiers
- CAS
214143-79-0
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 386.9 · 386.9±31.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 13.8 · 13.80±0.20(Predicted)
Chemistry & industry
Suppliers2 total
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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