Summary

IMPPAT Phytochemical identifier: IMPHY005827

Phytochemical name: 6-[(1Z)-prop-1-en-1-yl]-2,3,4,5-tetrahydropyridine

Synonymous chemical names:
2-(l-propenyl)-delta-piperidine-[2,3,4,5-tetrahydro-6-(1-propenyl)]-pyridine, [2,3,4,5-tetrahydro-6(1-propenyl)]-pyridine

External chemical identifiers:
CID:56972723

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Chemical structure information

SMILES:
C/C=CC1=NCCCC1

InChI:
InChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h2,5H,3-4,6-7H2,1H3/b5-2-

InChIKey:
SOEACRLLVZHBKW-DJWKRKHSSA-N

DeepSMILES:
C/C=CC=NCCCC6

Functional groups:
C/C=CC(C)=NC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=NCCCC1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Hydropyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 1.081

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Chemical structure download