1-[2-(3,4-Dimethoxyphenyl)ethyl]-3,4,6,7-tetrahydrocyclopenta[b]pyridine-2,5-dione
Basic information
- CAS
2349-42-0- Standard SMILES
COc1ccc(CCN2C(=O)CCC3=C2CCC3=O)cc1OC- InChIKey
NHVOGZSCLSJGHO-UHFFFAOYSA-N- Molecular formula
- C18H21NO4
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.14705815
Names & identifiers
- Preferred name
- 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3,4,6,7-tetrahydrocyclopenta[b]pyridine-2,5-dione
- IUPAC
- 1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,6,7-tetrahydrocyclopenta[b]pyridine-2,5-dione
Names & synonyms
MLS0031710982349-42-0NSC351292CHEMBL2138812DTXSID30319839NSC-351292SMR0018750071-[2-(3,4-Dimethoxyphenyl)ethyl]-3,4,6,7-tetrahydro-1H-cyclopenta[b]pyridine-2,5-dione
Database identifiers
- CAS
2349-42-0- PubChem CID
- 336543
- DTXSID
DTXSID30319839- ChEMBL
CHEMBL2138812
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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