N-Propionylserotonin

HCID 594440

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCC(=O)NCCc1c[nH]c2ccc(O)cc12
InChIKey: UIAQEFDSEZYLRH-UHFFFAOYSA-N
Molecular formula: C13H16N2O2
Average molar mass: 232.28 g/mol

Names & identifiers

Preferred name: N-Propionylserotonin
IUPAC: N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide

Names & synonyms

N-PropionylserotoninSCHEMBL1131640N-[2-(5-Hydroxyindol-3-yl)ethyl]propionamideN-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]propanamide #

Database identifiers

PubChem CID: 594440

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 65.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 270

Related reactions

6 records

New reaction record

HRID 324629 reaction equation

HRID 324629As productuspto-grants-2001_04

HRID 324630 reaction equation

HRID 324630As reactantuspto-grants-2001_04

HRID 1113583 reaction equation

HRID 1113583As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1562667 reaction equation

HRID 1562667As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1636602 reaction equation

HRID 1636602As productuspto-grants-2000_03

HRID 1636603 reaction equation

HRID 1636603As reactantuspto-grants-2000_03

Compound notes

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