(5Z)-5-[1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene]furan-2-one

C10H8O4 — CID 162905203

IUPAC(5Z)-5-[1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene]furan-2-one
SMILESO=C1C=C/C(=C(\C#C[C@H]2CO2)CO)O1
InChIInChI=1S/C10H8O4/c11-5-7(1-2-8-6-13-8)9-3-4-10(12)14-9/h3-4,8,11H,5-6H2/b9-7-/t8-/m0/s1
InChIKeyWYMTWRGLKSMOPA-FZGDARCMSA-N
MW192.17 g/mol
LogP-0.25
Rot. Bonds1

About (5Z)-5-[1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene]furan-2-one

(5Z)-5-[1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene]furan-2-one (PubChem CID 162905203) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is (5Z)-5-[1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene]furan-2-one
PubChem CID162905203
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name(5Z)-5-[1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene]furan-2-one
SMILESO=C1C=C/C(=C(\C#C[C@H]2CO2)CO)O1
InChIInChI=1S/C10H8O4/c11-5-7(1-2-8-6-13-8)9-3-4-10(12)14-9/h3-4,8,11H,5-6H2/b9-7-/t8-/m0/s1
InChIKeyWYMTWRGLKSMOPA-FZGDARCMSA-N
XLogP-0.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene]furan-2-one?
The IUPAC name of (5Z)-5-[1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene]furan-2-one (CID 162905203) is (5Z)-5-[1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene]furan-2-one.
What is the SMILES notation for (5Z)-5-[1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene]furan-2-one?
The canonical SMILES for (5Z)-5-[1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene]furan-2-one is O=C1C=C/C(=C(\C#C[C@H]2CO2)CO)O1.
What is the InChIKey of (5Z)-5-[1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene]furan-2-one?
The InChIKey is WYMTWRGLKSMOPA-FZGDARCMSA-N. The full InChI is InChI=1S/C10H8O4/c11-5-7(1-2-8-6-13-8)9-3-4-10(12)14-9/h3-4,8,11H,5-6H2/b9-7-/t8-/m0/s1.
What are the key properties of (5Z)-5-[1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene]furan-2-one?
(5Z)-5-[1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene]furan-2-one has a molecular weight of 192.17 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene]furan-2-one is sourced from PubChem (CID 162905203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).