2,5,6,7,8,9-Hexahydro-2-ethyl-3-hydroxy-4-(1-iminoethyl)-1H-cyclohepta(c)pyridin-1-one
Basic information
- CAS
89246-53-7- Standard SMILES
CCn1c(O)c2c(c(C(C)=N)c1=O)CCCCC2- InChIKey
HWMQUYSFCXZMIB-UHFFFAOYSA-N- Molecular formula
- C14H20N2O2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.15247789
Names & identifiers
- Preferred name
- 2,5,6,7,8,9-Hexahydro-2-ethyl-3-hydroxy-4-(1-iminoethyl)-1H-cyclohepta(c)pyridin-1-one
- IUPAC
- 4-ethanimidoyl-2-ethyl-1-hydroxy-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-3-one
Names & synonyms
2,5,6,7,8,9-Hexahydro-2-ethyl-3-hydroxy-4-(1-iminoethyl)-1H-cyclohepta(c)pyridin-1-one1H-Cyclohepta(c)pyridin-1-one, 2,5,6,7,8,9-hexahydro-2-ethyl-3-hydroxy-4-(1-iminoethyl)-89246-53-7
Database identifiers
- CAS
89246-53-7- PubChem CID
- 55926
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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