Summary

IMPPAT Phytochemical identifier: IMPHY007086

Phytochemical name: 1-Methylpyrrolidine

Synonymous chemical names:
n-methylpyrrolidine

External chemical identifiers:
CID:8454, ChEMBL:CHEMBL665, ZINC:ZINC000001692466, FDASRS:06509TZU6C, SureChEMBL:SCHEMBL4645, MolPort-001-781-156

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Chemical structure information

SMILES:
CN1CCCC1

InChI:
InChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3

InChIKey:
AVFZOVWCLRSYKC-UHFFFAOYSA-N

DeepSMILES:
CNCCCC5

Functional groups:
CN(C)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

ClassyFire Subclass: N-alkylpyrrolidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: -0.724

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Chemical structure download