Summary

IMPPAT Phytochemical identifier: IMPHY005837

Phytochemical name: 2-(2-Furanyl)-3-methyl-2-butenal

Synonymous chemical names:
2-(2-furanyl)-3-methyl-2-butenal

External chemical identifiers:
CID:555644

---

Chemical structure information

SMILES:
O=CC(=C(C)C)c1ccco1

InChI:
InChI=1S/C9H10O2/c1-7(2)8(6-10)9-4-3-5-11-9/h3-6H,1-2H3

InChIKey:
JWRBBXQUYVJOLN-UHFFFAOYSA-N

DeepSMILES:
O=CC=CC)C))cccco5

Functional groups:
cC(C=O)=C(C)C, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 0.137

---

Chemical structure download