3-[2-(3,4-Dimethoxyphenyl)ethylamino]cyclopent-2-en-1-one
Basic information
- CAS
53129-00-3- Standard SMILES
COc1ccc(CCNC2=CC(=O)CC2)cc1OC- InChIKey
AGDIGQVSPOMAOD-UHFFFAOYSA-N- Molecular formula
- C15H19NO3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.13649347
Names & identifiers
- Preferred name
- 3-[2-(3,4-Dimethoxyphenyl)ethylamino]cyclopent-2-en-1-one
- IUPAC
- 3-[2-(3,4-dimethoxyphenyl)ethylamino]cyclopent-2-en-1-one
Names & synonyms
3-[2-(3,4-dimethoxyphenyl)ethylamino]cyclopent-2-en-1-one53129-00-3NSC359557DTXSID70320444NSC-359557SR-01000199274SR-01000199274-13-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}cyclopent-2-en-1-one
Database identifiers
- CAS
53129-00-3- PubChem CID
- 338196
- DTXSID
DTXSID70320444
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…