Summary

IMPPAT Phytochemical identifier: IMPHY001231

Phytochemical name: 2(5H)-Furanone

Synonymous chemical names:
but-2-en-4-olide

External chemical identifiers:
CID:10341, ChEMBL:CHEMBL166223, ChEBI:38118, ZINC:ZINC000001682476, FDASRS:8KXK25H388, SureChEMBL:SCHEMBL25302, MolPort-000-871-250

---

Chemical structure information

SMILES:
C1OC(=O)C=C1

InChI:
InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2

InChIKey:
VIHAEDVKXSOUAT-UHFFFAOYSA-N

DeepSMILES:
COC=O)C=C5

Functional groups:
O=C1C=CCO1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCO1

Scaffold Graph/Node level:
OC1CCCO1

Scaffold Graph level:
CC1CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydrofurans

ClassyFire Subclass: Furanones

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 3.164

---

Chemical structure download