Basic information
- Standard SMILES
C=C(CC1(C)C(=O)CCC1=O)C1=CCCc2cc(OC)ncc21- InChIKey
MHUUYKPXQOFTSI-UHFFFAOYSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 311.4 g/mol
Names & identifiers
- Preferred name
- 5,6-Dihydro-3-methoxy-8-[3-(2-methyl-1,3-dioxocyclopent-2-yl)prop-1-en-2-yl]isoquinoline
- IUPAC
- 2-[2-(3-methoxy-5,6-dihydroisoquinolin-8-yl)prop-2-enyl]-2-methylcyclopentane-1,3-dione
Names & synonyms
SCHEMBL11718387MHUUYKPXQOFTSI-UHFFFAOYSA-N5,6-dihydro-3-methoxy-8-[3-(2-methyl-1,3-dioxocyclopent-2-yl)prop-1-en-2-yl]isoquinoline
Database identifiers
- PubChem CID
- 21404777
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 547
Related reactions
3 records
Compound notes
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