Summary

IMPPAT Phytochemical identifier: IMPHY009666

Phytochemical name: 2,5-Dihydro-1-methylpyrrole

Synonymous chemical names:
n-methyl pyrroline, n-methylpyrroline

External chemical identifiers:
CID:136355, FDASRS:40B34093RP, SureChEMBL:SCHEMBL85409, MolPort-001-781-140

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Chemical structure information

SMILES:
CN1CC=CC1

InChI:
InChI=1S/C5H9N/c1-6-4-2-3-5-6/h2-3H,4-5H2,1H3

InChIKey:
AHVYPIQETPWLSZ-UHFFFAOYSA-N

DeepSMILES:
CNCC=CC5

Functional groups:
CC=CC, CN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCNC1

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: 0.192

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Chemical structure download