Summary

IMPPAT Phytochemical identifier: IMPHY016134

Phytochemical name: N-Ethylpyrrole

Synonymous chemical names:
1-ethyl-1h-pyrrole, 1-ethylpyrrole, 1h-pyrrole 1-ethyl-

External chemical identifiers:
CID:185226, ZINC:ZINC000001866964, SureChEMBL:SCHEMBL163557, MolPort-000-155-364

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Chemical structure information

SMILES:
CCn1cccc1

InChI:
InChI=1S/C6H9N/c1-2-7-5-3-4-6-7/h3-6H,2H2,1H3

InChIKey:
VPUAYOJTHRDUTK-UHFFFAOYSA-N

DeepSMILES:
CCncccc5

Functional groups:
cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc[nH]c1

Scaffold Graph/Node level:
C1CCNC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrroles

ClassyFire Subclass: Substituted pyrroles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -1.094

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Chemical structure download