2-but-3-enyl-2H-furan-5-one

C8H10O2 — CID 12066113

IUPAC2-but-3-enyl-2H-furan-5-one
SMILESC=CCCC1C=CC(=O)O1
InChIInChI=1S/C8H10O2/c1-2-3-4-7-5-6-8(9)10-7/h2,5-7H,1,3-4H2
InChIKeyFZOJDNXCYNMZNQ-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.43
Rot. Bonds3

About 2-but-3-enyl-2H-furan-5-one

2-but-3-enyl-2H-furan-5-one (PubChem CID 12066113) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-but-3-enyl-2H-furan-5-one.

Molecular Properties

Compound Name2-but-3-enyl-2H-furan-5-one
PubChem CID12066113
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-but-3-enyl-2H-furan-5-one
SMILESC=CCCC1C=CC(=O)O1
InChIInChI=1S/C8H10O2/c1-2-3-4-7-5-6-8(9)10-7/h2,5-7H,1,3-4H2
InChIKeyFZOJDNXCYNMZNQ-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-but-3-enyl-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Hydroxy-2-pentenoic acid gamma-lactone
CID 11558
Ethyl (E)-2-heptenoate
CID 5358363
2-Nonenoic acid gamma-lactone
CID 89559
Ethyl trans-2-hexenoate
CID 5364778
5-ethyl-2(5H)-furanone
CID 16997
Ethyl 2-octenoate, (2E)-
CID 5364399
Parasorbic acid
CID 441575
5-hexylfuran-2(5H)-one
CID 102833
Butyl oct-2-enoate
CID 93661
Butyl hex-2-enoate
CID 575426
Ethyl hex-2-enoate
CID 519129
Ethyl (3Z)-hexenoate
CID 12349896

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-2H-furan-5-one?
The IUPAC name of 2-but-3-enyl-2H-furan-5-one (CID 12066113) is 2-but-3-enyl-2H-furan-5-one.
What is the SMILES notation for 2-but-3-enyl-2H-furan-5-one?
The canonical SMILES for 2-but-3-enyl-2H-furan-5-one is C=CCCC1C=CC(=O)O1.
What is the InChIKey of 2-but-3-enyl-2H-furan-5-one?
The InChIKey is FZOJDNXCYNMZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-3-4-7-5-6-8(9)10-7/h2,5-7H,1,3-4H2.
What are the key properties of 2-but-3-enyl-2H-furan-5-one?
2-but-3-enyl-2H-furan-5-one has a molecular weight of 138.17 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-2H-furan-5-one is sourced from PubChem (CID 12066113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).