Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008150

Phytochemical name: 5-Ethylidene-1-methyl-cycloheptene

Synonymous chemical names:
5-ethylidene-1-methyl-cycloheptene

External chemical identifiers:
CID:CID_6433644

---

Chemical structure information

SMILES:
C/C=C\1/CCC=C(CC1)C

InChI:
InChI=1S/C10H16/c1-3-10-6-4-5-9(2)7-8-10/h3,5H,4,6-8H2,1-2H3/b10-3-

InChIKey:
HQVYRYNHRRUKSO-KMKOMSMNSA-N

DeepSMILES:
C/C=C/CCC=CCC/7))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC=CCC1

Scaffold Graph/Node level:
CC1CCCCCC1

Scaffold Graph level:
CC1CCCCCC1

---

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-Likeness score: 2.342

---

Chemical structure download