Basic information
- CAS
39488-12-5- Standard SMILES
Cl.O=C1C2C3C=CC(C3)C2C(=O)N1CC#CCN1CCOCC1- InChIKey
PLXWGCXAVSGEDQ-UHFFFAOYSA-N- Molecular formula
- C17H21ClN2O3
- Average molar mass
- 336.8 g/mol
- Monoisotopic mass
- 336.1240702
Names & identifiers
- Preferred name
- 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-, monohydrochloride
- IUPAC
- 4-(4-morpholin-4-ylbut-2-ynyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hydrochloride
Names & synonyms
3a,4,7,7a-Tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-4,7-methano-1H-isoindole-1,3-dione HCl39488-12-54,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(4-morpholinyl)-2-butynyl)-, monohydrochlorideRefChem:286134DTXSID609601162-[4-(Morpholin-4-yl)but-2-yn-1-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
39488-12-5- PubChem CID
- 217697
- DTXSID
DTXSID60960116
Properties
Computed structural properties
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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