(3E)-4-(furan-2-yl)buta-1,3-dien-1-one

C8H6O2 — CID 102270534

IUPAC(3E)-4-(furan-2-yl)buta-1,3-dien-1-one
SMILESO=C=C/C=C/c1ccco1
InChIInChI=1S/C8H6O2/c9-6-2-1-4-8-5-3-7-10-8/h1-5,7H/b4-1+
InChIKeyOWSNWFQFXNKTDS-DAFODLJHSA-N
MW134.13 g/mol
LogP1.68
Rot. Bonds2

About (3E)-4-(furan-2-yl)buta-1,3-dien-1-one

(3E)-4-(furan-2-yl)buta-1,3-dien-1-one (PubChem CID 102270534) has the molecular formula C8H6O2 and a molecular weight of 134.13 g/mol. Its IUPAC name is (3E)-4-(furan-2-yl)buta-1,3-dien-1-one.

Molecular Properties

Compound Name(3E)-4-(furan-2-yl)buta-1,3-dien-1-one
PubChem CID102270534
Molecular FormulaC8H6O2
Molecular Weight134.13 g/mol
Exact Mass134.04
IUPAC Name(3E)-4-(furan-2-yl)buta-1,3-dien-1-one
SMILESO=C=C/C=C/c1ccco1
InChIInChI=1S/C8H6O2/c9-6-2-1-4-8-5-3-7-10-8/h1-5,7H/b4-1+
InChIKeyOWSNWFQFXNKTDS-DAFODLJHSA-N
XLogP1.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-4-(furan-2-yl)buta-1,3-dien-1-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

2-[(E)-2-fluoroethenyl]furan
CID 145208016
2-nona-1,3,5,7-tetraenylfuran
CID 173428871
(E)-2-(furan-2-yl)ethenethiol
CID 87339498
2-[(Z)-2-chloroethenyl]furan
CID 11389398
2-[(E)-2-bromoethenyl]furan
CID 10899150
sodium 5-(furan-2-yl)penta-2,4-dienoate
CID 88822345
2-[(1E,3Z)-hexa-1,3-dienyl]furan
CID 102244674
furan-2-carbaldehyde
CID 76972982
2-[2-[2-[2-(furan-2-yl)ethenyl]phenyl]ethenyl]furan
CID 91360504
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
CID 59090942
CID 59090942
2-[5-(furan-2-yl)penta-1,3-dienyl]furan
CID 141170087

Frequently Asked Questions

What is the IUPAC name of (3E)-4-(furan-2-yl)buta-1,3-dien-1-one?
The IUPAC name of (3E)-4-(furan-2-yl)buta-1,3-dien-1-one (CID 102270534) is (3E)-4-(furan-2-yl)buta-1,3-dien-1-one.
What is the SMILES notation for (3E)-4-(furan-2-yl)buta-1,3-dien-1-one?
The canonical SMILES for (3E)-4-(furan-2-yl)buta-1,3-dien-1-one is O=C=C/C=C/c1ccco1.
What is the InChIKey of (3E)-4-(furan-2-yl)buta-1,3-dien-1-one?
The InChIKey is OWSNWFQFXNKTDS-DAFODLJHSA-N. The full InChI is InChI=1S/C8H6O2/c9-6-2-1-4-8-5-3-7-10-8/h1-5,7H/b4-1+.
What are the key properties of (3E)-4-(furan-2-yl)buta-1,3-dien-1-one?
(3E)-4-(furan-2-yl)buta-1,3-dien-1-one has a molecular weight of 134.13 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(furan-2-yl)buta-1,3-dien-1-one is sourced from PubChem (CID 102270534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).