Basic information
- CAS
105705-83-7- Standard SMILES
O=C1NCC2CC1Cn1c2cccc1=O- InChIKey
ITGCPUVLXUYSOK-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- 5,6-Dihydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-4,8(1H,3H)-dione
- IUPAC
- 7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-6,10-dione
Names & synonyms
DTXSID7011337801,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-4,8(1H,3H)-dione, 5,6-dihydro-, (1R)-5,6-Dihydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-4,8(1H,3H)-dione105705-83-7
Database identifiers
- CAS
105705-83-7- PubChem CID
- 73201059
- DTXSID
DTXSID701133780
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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