Basic information
- CAS
34752-81-3- Standard SMILES
CC1=CC(=O)Nc2ncccc2O1- InChIKey
ZIAAGDVPXXPXCO-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 2-Methylpyrido[3,2-b][1,4]oxazepin-4(5h)-one
- IUPAC
- 2-methyl-5H-pyrido[3,2-b][1,4]oxazepin-4-one
Names & synonyms
MLS00292044134752-81-32-methylpyrido[3,2-b][1,4]oxazepin-4(5h)-oneNSC138175CHEMBL1880149DTXSID30300666NSC-138175SMR001798033
Database identifiers
- CAS
34752-81-3- PubChem CID
- 283447
- DTXSID
DTXSID30300666- ChEMBL
CHEMBL1880149
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…