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

C14H12O6 — CID 159116571

IUPAC3-(furan-2-yl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccco1.O=C(O)C=Cc1ccco1
InChIInChI=1S/2C7H6O3/c2*8-7(9)4-3-6-2-1-5-10-6/h2*1-5H,(H,8,9)
InChIKeyKFEABWBPUISWGT-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.75
Rot. Bonds4

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

3-(furan-2-yl)prop-2-enoic acid (PubChem CID 159116571) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is 3-(furan-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(furan-2-yl)prop-2-enoic acid
PubChem CID159116571
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name3-(furan-2-yl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccco1.O=C(O)C=Cc1ccco1
InChIInChI=1S/2C7H6O3/c2*8-7(9)4-3-6-2-1-5-10-6/h2*1-5H,(H,8,9)
InChIKeyKFEABWBPUISWGT-UHFFFAOYSA-N
XLogP2.75
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(furan-2-yl)prop-2-enoic acid 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

CID 59090942
CID 59090942
(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid
CID 774945
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
1-ethoxysiline;3-(furan-2-yl)prop-2-enoic acid
CID 175907656
(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one
CID 92904073
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
(E)-1-amino-4-(furan-2-yl)but-3-en-2-one
CID 82502541
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
lithium;butane;5-(furan-2-yl)penta-2,4-dienoic acid
CID 173216001
(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
CID 790450
(E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
CID 6132853
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)prop-2-enoic acid?
The IUPAC name of 3-(furan-2-yl)prop-2-enoic acid (CID 159116571) is 3-(furan-2-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(furan-2-yl)prop-2-enoic acid?
The canonical SMILES for 3-(furan-2-yl)prop-2-enoic acid is O=C(O)C=Cc1ccco1.O=C(O)C=Cc1ccco1.
What is the InChIKey of 3-(furan-2-yl)prop-2-enoic acid?
The InChIKey is KFEABWBPUISWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O3/c2*8-7(9)4-3-6-2-1-5-10-6/h2*1-5H,(H,8,9).
What are the key properties of 3-(furan-2-yl)prop-2-enoic acid?
3-(furan-2-yl)prop-2-enoic acid has a molecular weight of 276.24 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)prop-2-enoic acid is sourced from PubChem (CID 159116571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).