3-Methyl-3,4-dihydro-2h-naphtho[2,1-e][1,3]oxazine
Basic information
- CAS
6625-51-0- Standard SMILES
CN1COc2c(ccc3ccccc23)C1- InChIKey
OIUOFQJQYDMLMO-UHFFFAOYSA-N- Molecular formula
- C13H13NO
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.09971404
Names & identifiers
- Preferred name
- 3-Methyl-3,4-dihydro-2h-naphtho[2,1-e][1,3]oxazine
- IUPAC
- 3-methyl-2,4-dihydrobenzo[h][1,3]benzoxazine
Names & synonyms
3-methyl-3,4-dihydro-2h-naphtho[2,1-e][1,3]oxazine6625-51-03-METHYL-2H,3H,4H-NAPHTHO[2,1-E][1,3]OXAZINENSC47906SCHEMBL15827402DTXSID70286819NSC-47906
Database identifiers
- CAS
6625-51-0- PubChem CID
- 240928
- DTXSID
DTXSID70286819
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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