(5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]furan-2-one

C11H14O3 — CID 156581209

IUPAC(5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]furan-2-one
SMILESC/C=C/C=C1/C=C(C[C@H](C)O)C(=O)O1
InChIInChI=1S/C11H14O3/c1-3-4-5-10-7-9(6-8(2)12)11(13)14-10/h3-5,7-8,12H,6H2,1-2H3/b4-3+,10-5-/t8-/m0/s1
InChIKeyYXGLHZDPYZEASC-DFTJNCBESA-N
MW194.23 g/mol
LogP1.70
Rot. Bonds3

About (5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]furan-2-one

(5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]furan-2-one (PubChem CID 156581209) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]furan-2-one
PubChem CID156581209
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]furan-2-one
SMILESC/C=C/C=C1/C=C(C[C@H](C)O)C(=O)O1
InChIInChI=1S/C11H14O3/c1-3-4-5-10-7-9(6-8(2)12)11(13)14-10/h3-5,7-8,12H,6H2,1-2H3/b4-3+,10-5-/t8-/m0/s1
InChIKeyYXGLHZDPYZEASC-DFTJNCBESA-N
XLogP1.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]furan-2-one?
The IUPAC name of (5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]furan-2-one (CID 156581209) is (5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]furan-2-one.
What is the SMILES notation for (5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]furan-2-one?
The canonical SMILES for (5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]furan-2-one is C/C=C/C=C1/C=C(C[C@H](C)O)C(=O)O1.
What is the InChIKey of (5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]furan-2-one?
The InChIKey is YXGLHZDPYZEASC-DFTJNCBESA-N. The full InChI is InChI=1S/C11H14O3/c1-3-4-5-10-7-9(6-8(2)12)11(13)14-10/h3-5,7-8,12H,6H2,1-2H3/b4-3+,10-5-/t8-/m0/s1.
What are the key properties of (5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]furan-2-one?
(5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]furan-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-but-2-enylidene]-3-[(2S)-2-hydroxypropyl]furan-2-one is sourced from PubChem (CID 156581209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).