Basic information
- CAS
91240-16-3- Standard SMILES
O=C1CCCC2CCCC(=O)N12- InChIKey
XSTWLZCCGZNCPF-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Names & identifiers
- Preferred name
- Tetrahydro-2h-quinolizine-4,6(1h,3h)-dione
- IUPAC
- 2,3,7,8,9,9a-hexahydro-1H-quinolizine-4,6-dione
Names & synonyms
91240-16-3tetrahydro-2h-quinolizine-4,6(1h,3h)-dioneNSC123380CHEMBL358798DTXSID30298478NSC-123380
Database identifiers
- CAS
91240-16-3- PubChem CID
- 276129
- DTXSID
DTXSID30298478- ChEMBL
CHEMBL358798
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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