Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010188

Phytochemical name: 2-Acetyl-1-furfurylpyrrole

Synonymous chemical names:
1-furfuryl-2-acetyl-pyrrole, pyrrole, 1-furfuryl-2-acetyl

External chemical identifiers:
CID:CID_20560368, FDASRS:EJ443MI6K2, SureChEMBL:SCHEMBL11332213

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Chemical structure information

SMILES:
CC(=O)c1cccn1Cc1ccco1

InChI:
InChI=1S/C11H11NO2/c1-9(13)11-5-2-6-12(11)8-10-4-3-7-14-10/h2-7H,8H2,1H3

InChIKey:
AYCBWOMKZDMMQR-UHFFFAOYSA-N

DeepSMILES:
CC=O)ccccn5Ccccco5

Functional groups:
cC(C)=O, coc, cn(C)c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1coc(Cn2cccc2)c1

Scaffold Graph/Node level:
C1COC(CN2CCCC2)C1

Scaffold Graph level:
C1CCC(CC2CCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -1.59

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Chemical structure download