Summary

IMPPAT Phytochemical identifier: IMPHY001772

Phytochemical name: (E)-3-[(Methoxy)methylene]pyrrolidine-2-thione

Synonymous chemical names:
3-(methoxymethylene)-2-pyrrolidinethione

External chemical identifiers:
CID:15747403

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Chemical structure information

SMILES:
CO/C=C/1CCNC1=S

InChI:
InChI=1S/C6H9NOS/c1-8-4-5-2-3-7-6(5)9/h4H,2-3H2,1H3,(H,7,9)/b5-4+

InChIKey:
FXKRKZYGKOWUNE-SNAWJCMRSA-N

DeepSMILES:
CO/C=CCCNC5=S

Functional groups:
CO/C=C1CCNC1=S

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCNC1=S

Scaffold Graph/Node level:
CC1CCNC1S

Scaffold Graph level:
CC1CCCC1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Thiolactams

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Pyrrolidine alkaloids

NP-Likeness score: 0.68

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Chemical structure download