3-isobutyl-5-(2-(2-nitrophenyl)acetyl)-3-phenyl-4,5,6,7-tetrahydrofuro[3,4-c]pyridin-1(3H)-one

HCID 89628485
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)CC1(c2ccccc2)OC(=O)C2=C1CN(C(=O)Cc1ccccc1[N+](=O)[O-])CC2
InChIKey
NGQGBRQCBQBYNG-UHFFFAOYSA-N
Molecular formula
C25H26N2O5
Average molar mass
434.5 g/mol

Names & identifiers

Preferred name
3-isobutyl-5-(2-(2-nitrophenyl)acetyl)-3-phenyl-4,5,6,7-tetrahydrofuro[3,4-c]pyridin-1(3H)-one
IUPAC
3-(2-methylpropyl)-5-[2-(2-nitrophenyl)acetyl]-3-phenyl-6,7-dihydro-4H-furo[3,4-c]pyridin-1-one

Names & synonyms

SCHEMBL15030627NGQGBRQCBQBYNG-UHFFFAOYSA-N3-isobutyl-5-(2-(2-nitrophenyl)acetyl)-3-phenyl-4,5,6,7-tetrahydrofuro[3,4-c]pyridin-1(3H)-one

Database identifiers

PubChem CID
89628485

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
92.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

Loading…