3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine
Basic information
- CAS
81684-48-2- Standard SMILES
CCC1CCC2CCCCN2CO1- InChIKey
GCGACVWPPJNUGG-UHFFFAOYSA-N- Molecular formula
- C11H21NO
- Average molar mass
- 183.29 g/mol
- Monoisotopic mass
- 183.16231429
Names & identifiers
- Preferred name
- 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine
- IUPAC
- 3-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepine
Names & synonyms
81684-48-23-ethyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]oxazepineNSC346485DTXSID80319506NSC-3464851H-Pyrido[1,3]oxazepine, 3-ethyloctahydro-3-Ethyloctahydro-1H-pyrido[1,2-c][1,3]oxazepine
Database identifiers
- CAS
81684-48-2- PubChem CID
- 335681
- DTXSID
DTXSID80319506
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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