Basic information
- CAS
807334-89-0- Standard SMILES
C=CCN1C(=O)C(=O)c2ccccc2C1=O- InChIKey
RFPACNBGGYBCGT-UHFFFAOYSA-N- Molecular formula
- C12H9NO3
- Average molar mass
- 215.2 g/mol
- Monoisotopic mass
- 215.05824315
Names & identifiers
- Preferred name
- 1,3,4(2H)-Isoquinolinetrione, 2-(2-propenyl)-
- IUPAC
- 2-prop-2-enylisoquinoline-1,3,4-trione
Names & synonyms
807334-89-01,3,4(2H)-Isoquinolinetrione, 2-(2-propenyl)-2-allylisoquinoline-1,3,4-trioneCHEMBL381777Isoquinoline-1,3,4-trione 2bSCHEMBL13442855BDBM10249DTXSID20469711AKOS015966148PD1802732-(Prop-2-en-1-yl)isoquinoline-1,3,4(2H)-trione2-(prop-2-en-1-yl)-1,2,3,4-tetrahydroisoquinoline-1,3,4-trione
Database identifiers
- CAS
807334-89-0- PubChem CID
- 11629882
- DTXSID
DTXSID20469711- ChEMBL
CHEMBL381777
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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