Basic information
- CAS
55680-86-9- Standard SMILES
CN(C)CC#CCc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1.Cl- InChIKey
ITYBVCOUKZJWTM-UHFFFAOYSA-N- Molecular formula
- C21H23ClN2O2
- Average molar mass
- 370.9 g/mol
- Monoisotopic mass
- 370.1448057
Names & identifiers
- Preferred name
- 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(4-(dimethylamino)-2-butynyl)phenyl)-, monohydrochloride
- IUPAC
- 4-[4-[4-(dimethylamino)but-2-ynyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hydrochloride
Names & synonyms
55680-86-94,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(4-(dimethylamino)-2-butynyl)phenyl)-, monohydrochlorideRefChem:286133DTXSID309710322-{4-[4-(Dimethylamino)but-2-yn-1-yl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
55680-86-9- PubChem CID
- 3043545
- DTXSID
DTXSID30971032
Properties
Computed structural properties
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 630
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…