Basic information
- CAS
5443-38-9- Standard SMILES
CC(C)N1C(=O)C2C3C=CC(C3)C2C1=O- InChIKey
CCGKCUKWRHWJSR-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- 2-(Propan-2-yl)-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione
- IUPAC
- 4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Names & synonyms
5443-38-92-(propan-2-yl)-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione4-propan-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dioneNSC19636SCHEMBL11798566DTXSID90280995NSC 19636NSC-19636AKOS025142331
Database identifiers
- CAS
5443-38-9- PubChem CID
- 227686
- DTXSID
DTXSID90280995
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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