3-(furan-2-yl)but-3-enoic acid

C8H8O3 — CID 117268805

IUPAC3-(furan-2-yl)but-3-enoic acid
SMILESC=C(CC(=O)O)c1ccco1
InChIInChI=1S/C8H8O3/c1-6(5-8(9)10)7-3-2-4-11-7/h2-4H,1,5H2,(H,9,10)
InChIKeyLHUOECHSSWAZDK-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.77
Rot. Bonds3

About 3-(furan-2-yl)but-3-enoic acid

3-(furan-2-yl)but-3-enoic acid (PubChem CID 117268805) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3-(furan-2-yl)but-3-enoic acid.

Molecular Properties

Compound Name3-(furan-2-yl)but-3-enoic acid
PubChem CID117268805
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name3-(furan-2-yl)but-3-enoic acid
SMILESC=C(CC(=O)O)c1ccco1
InChIInChI=1S/C8H8O3/c1-6(5-8(9)10)7-3-2-4-11-7/h2-4H,1,5H2,(H,9,10)
InChIKeyLHUOECHSSWAZDK-UHFFFAOYSA-N
XLogP1.77
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid
CID 55250666
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;gold
CID 174701575
furan-2-carboxylic acid;silver
CID 87285311
3-(furan-2-carbonylamino)propanoic acid
CID 762504
bis(furan-2-carbothioic S-acid);hydrochloride
CID 122655797
cesium furan-2-carboxylate
CID 140900702
furan-2-carboxylic acid;methanol
CID 70611195
6-(furan-2-yl)-6-oxohexanoic acid
CID 96622261
2-hex-1-en-2-ylfuran
CID 91416997
furan-2-carboxylic acid;methanamine
CID 82372767
furan-2-yl(phosphanyl)methanone
CID 151549332

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)but-3-enoic acid?
The IUPAC name of 3-(furan-2-yl)but-3-enoic acid (CID 117268805) is 3-(furan-2-yl)but-3-enoic acid.
What is the SMILES notation for 3-(furan-2-yl)but-3-enoic acid?
The canonical SMILES for 3-(furan-2-yl)but-3-enoic acid is C=C(CC(=O)O)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)but-3-enoic acid?
The InChIKey is LHUOECHSSWAZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-6(5-8(9)10)7-3-2-4-11-7/h2-4H,1,5H2,(H,9,10).
What are the key properties of 3-(furan-2-yl)but-3-enoic acid?
3-(furan-2-yl)but-3-enoic acid has a molecular weight of 152.15 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)but-3-enoic acid is sourced from PubChem (CID 117268805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).