Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015114

Phytochemical name: 1-Furfurylpyrrole

Synonymous chemical names:
1h-pyrrole,1-(2-furanylmethyl)-, 1-furfuryl-pyrrole

External chemical identifiers:
CID:CID_15037, ChEMBL:CHEMBL3187231, ChEBI:CHEBI:168927, ZINC:ZINC000000409206, FDASRS:15HF30X204, SureChEMBL:SCHEMBL1532637, MolPort-001-780-318

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Chemical structure information

SMILES:
c1ccn(c1)Cc1ccco1

InChI:
InChI=1S/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2

InChIKey:
BTBFUBUCCJKJOZ-UHFFFAOYSA-N

DeepSMILES:
cccnc5)Ccccco5

Functional groups:
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: Organoheterocyclic compounds

ClassyFire Class: Pyrroles

ClassyFire Subclass: Substituted pyrroles

NP-Likeness score: -1.6

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Chemical structure download