Basic information
- CAS
55680-89-2- Standard SMILES
C#CCOc1ccc(N2C(=O)C3CC=CCC3C2=O)cc1- InChIKey
TZONHHXEGSUDFB-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)-
- IUPAC
- 2-(4-prop-2-ynoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Names & synonyms
N-(4-Propargiloksy)-fenylo imid kwasu 1,2,3,6-tetrahydroftalowego [Polish]3a,4,7,7a-Tetrahydro-2-(4-(2-propynyloxy)phenyl)-1H-isoindole-1,3(2H)-dione55680-89-21H-ISOINDOLE-1,3(2H)-DIONE, 3a,4,7,7a-TETRAHYDRO-2-(4-(2-PROPYNYLOXY)PHENYL)-N-(4-Propargiloksy)-fenylo imid kwasu 1,2,3,6-tetrahydroftalowegoRefChem:239344DTXSID509710342-{4-[(Prop-2-yn-1-yl)oxy]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
55680-89-2- PubChem CID
- 41511
- DTXSID
DTXSID50971034
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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