Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002066

Phytochemical name: Pyrrolidine-1-carbonitrile

Synonymous chemical names:
1-pyrrolidine carbonitrile

External chemical identifiers:
CID:CID_73737, ChEMBL:CHEMBL262697, ZINC:ZINC000001676633, SureChEMBL:SCHEMBL297005, MolPort-000-145-877

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Chemical structure information

SMILES:
N#CN1CCCC1

InChI:
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2

InChIKey:
QJRYYOWARFCJQZ-UHFFFAOYSA-N

DeepSMILES:
N#CNCCCC5

Functional groups:
CN(C#N)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNC1

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: Pyrrolidines

NP Classifier Biosynthetic pathway: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: -0.325

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Chemical structure download