Basic information
- CAS
7088-10-0- Standard SMILES
O=C1CCCC2(c3ccccc3)OCCCN12- InChIKey
JAYUUVKVDZGYBL-UHFFFAOYSA-N- Molecular formula
- C14H17NO2
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.12592879
Names & identifiers
- Preferred name
- 2H,6H-Pyrido(2,1-b)(1,3)oxazin-6-one, 3,4,7,8,9,9a-hexahydro-9a-phenyl-
- IUPAC
- 9a-phenyl-2,3,4,7,8,9-hexahydropyrido[2,1-b][1,3]oxazin-6-one
- English name
- 3,4,7,8,9,9a-Hexahydro-9a-phenyl-2H,6H-pyrido[2,1-b][1,3]oxazin-6-one
- Molecular formula
- C14H17NO2
- Molecular weight
- 231.29
Names & synonyms
BRN 12174397088-10-03,4,7,8,9,9a-Hexahydro-9a-phenyl-2H,6H-pyrido(2,1-b)(1,3)oxazin-6-one2H,6H-Pyrido(2,1-b)(1,3)oxazin-6-one, 3,4,7,8,9,9a-hexahydro-9a-phenyl-RefChem:267555CHEMBL3275889DTXSID709911589a-Phenylhexahydro-2H,6H-pyrido[2,1-b][1,3]oxazin-6-one2H,6H-Pyrido[2,1-b][1,3]oxazin-6-one, hexahydro-9a-phenyl-3,4,7,8,9,9a-Hexahydro-9a-phenyl-2H,6H-pyrido[2,1-b][1,3]oxazin-6-one
Database identifiers
- CAS
7088-10-0- PubChem CID
- 201902
- DTXSID
DTXSID70991158- ChEMBL
CHEMBL3275889- Nikkaji
- J51.365B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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