HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

2-Methyl-2-phenyl-5-[2-(4-pyridinyl)ethenyl]-3(2H)-furanone

HCID 54367117
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(c2ccccc2)OC(C=Cc2ccncc2)=CC1=O
InChIKey
UQOFBYDNFXNLET-UHFFFAOYSA-N
Molecular formula
C18H15NO2
Average molar mass
277.3 g/mol
Monoisotopic mass
277.11027872

Names & identifiers

Preferred name
2-Methyl-2-phenyl-5-[2-(4-pyridinyl)ethenyl]-3(2H)-furanone
IUPAC
2-methyl-2-phenyl-5-(2-pyridin-4-ylethenyl)furan-3-one

Names & synonyms

SCHEMBL9867033UQOFBYDNFXNLET-UHFFFAOYSA-N2-Methyl-2-phenyl-5-[2-(4-pyridinyl)ethenyl]-3(2H)-furanone

Database identifiers

PubChem CID
54367117

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
39.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
442

Related reactions

5 records
New reaction record
HRID 359380 reaction equation
HRID 359380As productuspto-grants-1991_03
HRID 669999 reaction equation
HRID 669999As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1085584 reaction equation
HRID 1085584As productuspto-grants-1991_04
HRID 1089517 reaction equation
HRID 1089517As productuspto-grants-1990_10
HRID 2051281 reaction equation
HRID 2051281As productuspto-grants-1991_05

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes