2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)butanamide
Basic information
- CAS
32392-65-7- Standard SMILES
CCC(C(N)=O)N1C(=O)C2C3CCC(C3)C2C1=O- InChIKey
CEQVHQPNJCLMJH-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Names & identifiers
- Preferred name
- 2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)butanamide
- IUPAC
- 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)butanamide
Names & synonyms
MLS00311524532392-65-7NSC241996CHEMBL2135397DTXSID90311379NSC-241996SMR0018308272-(1,3-Dioxooctahydro-2H-4,7-methanoisoindol-2-yl)butanamide
Database identifiers
- CAS
32392-65-7- PubChem CID
- 315876
- DTXSID
DTXSID90311379- ChEMBL
CHEMBL2135397
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…