Summary

IMPPAT Phytochemical identifier: IMPHY016154

Phytochemical name: 1-Pyrroline

Synonymous chemical names:
1-pyrroline

External chemical identifiers:
CID:79803, ChEBI:19092, ZINC:ZINC000030729497, FDASRS:2SK2I7766O, SureChEMBL:SCHEMBL19660

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Chemical structure information

SMILES:
C1CCC=N1

InChI:
InChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2

InChIKey:
ZVJHJDDKYZXRJI-UHFFFAOYSA-N

DeepSMILES:
CCCC=N5

Functional groups:
CC=NC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=NCCC1

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: Pyrrolines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.502

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Chemical structure download