Summary

IMPPAT Phytochemical identifier: IMPHY012698

Phytochemical name: 1-Methylenepyrrolizidine

Synonymous chemical names:
1-methylenepyrrolizidine

External chemical identifiers:
CID:3990672

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Chemical structure information

SMILES:
C=C1CCN2C1CCC2

InChI:
InChI=1S/C8H13N/c1-7-4-6-9-5-2-3-8(7)9/h8H,1-6H2

InChIKey:
SVJAUSAOZOLUJQ-UHFFFAOYSA-N

DeepSMILES:
C=CCCNC5CCC5

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCN2CCCC12

Scaffold Graph/Node level:
CC1CCN2CCCC12

Scaffold Graph level:
CC1CCC2CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Indolizidine alkaloids

NP-Likeness score: 0.845

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Chemical structure download