Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014628

Phytochemical name: (3E)-3-Ethylidene-1-cycloheptene

Synonymous chemical names:
3-ethylidenecycloheptene

External chemical identifiers:
CID:CID_5368778

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Chemical structure information

SMILES:
C/C=C/1\CCCCC=C1

InChI:
InChI=1S/C9H14/c1-2-9-7-5-3-4-6-8-9/h2,5,7H,3-4,6,8H2,1H3/b9-2-

InChIKey:
SYIBJHROSBOWGC-MBXJOHMKSA-N

DeepSMILES:
C/C=C\CCCCC=C\7

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CCCCC1

Scaffold Graph/Node level:
CC1CCCCCC1

Scaffold Graph level:
CC1CCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Monocyclic monoterpenoids

NP-Likeness score: 1.491

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Chemical structure download