Basic information
- CAS
104779-11-5- Standard SMILES
O=C1CCC2CCCN2C1- InChIKey
CTLFWPKNLDXQIR-UHFFFAOYSA-N- Molecular formula
- C8H13NO
- Average molar mass
- 139.19 g/mol
- Monoisotopic mass
- 139.09971404
Names & identifiers
- Preferred name
- Hexahydroindolizin-6(5H)-one
- IUPAC
- 2,3,5,7,8,8a-hexahydro-1H-indolizin-6-one
Names & synonyms
Hexahydroindolizin-6(5H)-one104779-11-52,3,5,7,8,8a-hexahydro-1H-indolizin-6-one6(5H)-Indolizinone, hexahydro-DTXSID50547596
Database identifiers
- CAS
104779-11-5- PubChem CID
- 13720719
- DTXSID
DTXSID50547596
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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