(E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid

C10H10O4 — CID 11745513

IUPAC(E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid
SMILESCC/C=C1\C=C(/C=C/C(=O)O)C(=O)O1
InChIInChI=1S/C10H10O4/c1-2-3-8-6-7(10(13)14-8)4-5-9(11)12/h3-6H,2H2,1H3,(H,11,12)/b5-4+,8-3+
InChIKeyLNEPPGKBSBTFDF-JPXXCTSLSA-N
MW194.19 g/mol
LogP1.40
Rot. Bonds3

About (E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid

(E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid (PubChem CID 11745513) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid
PubChem CID11745513
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid
SMILESCC/C=C1\C=C(/C=C/C(=O)O)C(=O)O1
InChIInChI=1S/C10H10O4/c1-2-3-8-6-7(10(13)14-8)4-5-9(11)12/h3-6H,2H2,1H3,(H,11,12)/b5-4+,8-3+
InChIKeyLNEPPGKBSBTFDF-JPXXCTSLSA-N
XLogP1.40
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid (CID 11745513) is (E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid is CC/C=C1\C=C(/C=C/C(=O)O)C(=O)O1.
What is the InChIKey of (E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid?
The InChIKey is LNEPPGKBSBTFDF-JPXXCTSLSA-N. The full InChI is InChI=1S/C10H10O4/c1-2-3-8-6-7(10(13)14-8)4-5-9(11)12/h3-6H,2H2,1H3,(H,11,12)/b5-4+,8-3+.
What are the key properties of (E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid?
(E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid has a molecular weight of 194.19 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid is sourced from PubChem (CID 11745513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).