Basic information
- CAS
386725-17-3- Standard SMILES
O=C(OCC(=O)N1CCc2ccccc21)c1ccncc1- InChIKey
AFXVHJFQYIKSLK-UHFFFAOYSA-N- Molecular formula
- C16H14N2O3
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.10044231
Names & identifiers
- Preferred name
- [2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate
- IUPAC
- [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate
Names & synonyms
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylateOprea1_278450MLS002170669CHEMBL1449131DTXSID501331467HMS3043L24AKOS033700023386725-17-3SMR001250984Z196842992-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl pyridine-4-carboxylate
Database identifiers
- CAS
386725-17-3- PubChem CID
- 2452809
- DTXSID
DTXSID501331467- ChEMBL
CHEMBL1449131
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 393
Experimental & physicochemical properties
Solubility33.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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