[(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate

C10H10O3S — CID 58462686

IUPAC[(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1=C/C(=C/C)SC1=O
InChIInChI=1S/C10H10O3S/c1-3-8-5-7(10(12)14-8)6-13-9(11)4-2/h3-5H,2,6H2,1H3/b8-3-
InChIKeyBLFFGPHYGYBUOE-BAQGIRSFSA-N
MW210.25 g/mol
LogP1.82
Rot. Bonds3

About [(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate

[(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate (PubChem CID 58462686) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is [(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate.

Molecular Properties

Compound Name[(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate
PubChem CID58462686
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name[(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1=C/C(=C/C)SC1=O
InChIInChI=1S/C10H10O3S/c1-3-8-5-7(10(12)14-8)6-13-9(11)4-2/h3-5H,2,6H2,1H3/b8-3-
InChIKeyBLFFGPHYGYBUOE-BAQGIRSFSA-N
XLogP1.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(5Z)-5-(bromomethylidene)-2-oxothiophen-3-yl]methyl prop-2-enoate
CID 67293519
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl prop-2-enoate
CID 141202995
(4-methylsulfanylphenyl)methyl prop-2-enoate
CID 171485836
[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate
CID 171722962
[2-(aminomethyl)phenyl]methyl prop-2-enoate
CID 174585354
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethenamine;ethyl prop-2-enoate
CID 22022699
[bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate
CID 58984040
ethyl prop-2-enoate;sulfane
CID 157093783
[1-methylidene-8-[(Z)-prop-1-enyl]-8aH-naphthalen-2-yl]methyl prop-2-enoate
CID 170440641
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225

Frequently Asked Questions

What is the IUPAC name of [(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate?
The IUPAC name of [(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate (CID 58462686) is [(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate.
What is the SMILES notation for [(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate?
The canonical SMILES for [(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate is C=CC(=O)OCC1=C/C(=C/C)SC1=O.
What is the InChIKey of [(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate?
The InChIKey is BLFFGPHYGYBUOE-BAQGIRSFSA-N. The full InChI is InChI=1S/C10H10O3S/c1-3-8-5-7(10(12)14-8)6-13-9(11)4-2/h3-5H,2,6H2,1H3/b8-3-.
What are the key properties of [(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate?
[(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate has a molecular weight of 210.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z)-5-ethylidene-2-oxothiophen-3-yl]methyl prop-2-enoate is sourced from PubChem (CID 58462686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).