(5E)-5-[(E)-but-2-enylidene]-3-propylfuran-2-one

C11H14O2 — CID 10035170

IUPAC(5E)-5-[(E)-but-2-enylidene]-3-propylfuran-2-one
SMILESC/C=C/C=C1\C=C(CCC)C(=O)O1
InChIInChI=1S/C11H14O2/c1-3-5-7-10-8-9(6-4-2)11(12)13-10/h3,5,7-8H,4,6H2,1-2H3/b5-3+,10-7+
InChIKeyBIYLHDYSCBLLJI-RVAGFXNCSA-N
MW178.23 g/mol
LogP2.73
Rot. Bonds3

About (5E)-5-[(E)-but-2-enylidene]-3-propylfuran-2-one

(5E)-5-[(E)-but-2-enylidene]-3-propylfuran-2-one (PubChem CID 10035170) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (5E)-5-[(E)-but-2-enylidene]-3-propylfuran-2-one.

Molecular Properties

Compound Name(5E)-5-[(E)-but-2-enylidene]-3-propylfuran-2-one
PubChem CID10035170
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(5E)-5-[(E)-but-2-enylidene]-3-propylfuran-2-one
SMILESC/C=C/C=C1\C=C(CCC)C(=O)O1
InChIInChI=1S/C11H14O2/c1-3-5-7-10-8-9(6-4-2)11(12)13-10/h3,5,7-8H,4,6H2,1-2H3/b5-3+,10-7+
InChIKeyBIYLHDYSCBLLJI-RVAGFXNCSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-but-2-enylidene]-3-propylfuran-2-one?
The IUPAC name of (5E)-5-[(E)-but-2-enylidene]-3-propylfuran-2-one (CID 10035170) is (5E)-5-[(E)-but-2-enylidene]-3-propylfuran-2-one.
What is the SMILES notation for (5E)-5-[(E)-but-2-enylidene]-3-propylfuran-2-one?
The canonical SMILES for (5E)-5-[(E)-but-2-enylidene]-3-propylfuran-2-one is C/C=C/C=C1\C=C(CCC)C(=O)O1.
What is the InChIKey of (5E)-5-[(E)-but-2-enylidene]-3-propylfuran-2-one?
The InChIKey is BIYLHDYSCBLLJI-RVAGFXNCSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-5-7-10-8-9(6-4-2)11(12)13-10/h3,5,7-8H,4,6H2,1-2H3/b5-3+,10-7+.
What are the key properties of (5E)-5-[(E)-but-2-enylidene]-3-propylfuran-2-one?
(5E)-5-[(E)-but-2-enylidene]-3-propylfuran-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-but-2-enylidene]-3-propylfuran-2-one is sourced from PubChem (CID 10035170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).