Basic information
- CAS
51821-30-8- Standard SMILES
C=CC(=O)OCCN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2- InChIKey
GCWYVQYFOWKBFE-OLZOCXBDSA-N- Molecular formula
- C16H20N2O3
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.1473925
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl ester, (1S)-
- IUPAC
- 2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl prop-2-enoate
Names & synonyms
DTXSID3011065652-Propenoic acid, 2-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl ester, (1S)-51821-30-8
Database identifiers
- CAS
51821-30-8- PubChem CID
- 165367232
- DTXSID
DTXSID301106565
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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