Ethyl [5-(1H-indole-2-carbonyl)-3,4-dihydropyridin-1(2H)-yl]acetate
Basic information
- CAS
62515-77-9- Standard SMILES
CCOC(=O)CN1C=C(C(=O)c2cc3ccccc3[nH]2)CCC1- InChIKey
DMQAXQPVHKEAMM-UHFFFAOYSA-N- Molecular formula
- C18H20N2O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.1473925
Names & identifiers
- Preferred name
- Ethyl [5-(1H-indole-2-carbonyl)-3,4-dihydropyridin-1(2H)-yl]acetate
- IUPAC
- ethyl 2-[5-(1H-indole-2-carbonyl)-3,4-dihydro-2H-pyridin-1-yl]acetate
Names & synonyms
62515-77-9Ethyl 2-(5-(1H-indole-2-carbonyl)-3,4-dihydropyridin-1(2H)-yl)acetateNSC186028DTXSID00307021Ethyl [5-(1H-indole-2-carbonyl)-3,4-dihydropyridin-1(2H)-yl]acetateNSC-186028
Database identifiers
- CAS
62515-77-9- PubChem CID
- 302269
- DTXSID
DTXSID00307021
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…