methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate

C13H10O4S — CID 162787640

IUPACmethyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate
SMILESCOC(=O)c1cc(=O)cc(/C=C/c2cccs2)o1
InChIInChI=1S/C13H10O4S/c1-16-13(15)12-8-9(14)7-10(17-12)4-5-11-3-2-6-18-11/h2-8H,1H3/b5-4+
InChIKeyPZBSTJXIXWLHJN-SNAWJCMRSA-N
MW262.29 g/mol
LogP2.66
Rot. Bonds3

About methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate

methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate (PubChem CID 162787640) has the molecular formula C13H10O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate
PubChem CID162787640
Molecular FormulaC13H10O4S
Molecular Weight262.29 g/mol
Exact Mass262.03
IUPAC Namemethyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate
SMILESCOC(=O)c1cc(=O)cc(/C=C/c2cccs2)o1
InChIInChI=1S/C13H10O4S/c1-16-13(15)12-8-9(14)7-10(17-12)4-5-11-3-2-6-18-11/h2-8H,1H3/b5-4+
InChIKeyPZBSTJXIXWLHJN-SNAWJCMRSA-N
XLogP2.66
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-(2-thienyl)acrylate
CID 5709013
(Z)-5-((5-Methyl-2-thienyl)methylene)-2(5H)-furanone
CID 11469583
2,3-Dihydro-1,4-dioxin-5-carboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester
CID 2355260
methyl (2E,4E,6E)-3,5-dimethoxy-4-methyl-7-thiophen-2-ylhepta-2,4,6-trienoate
CID 44327959
(E)-Ethyl 3-(thiophen-2-yl)acrylate
CID 5372376
butyl (E)-3-thiophen-2-ylprop-2-enoate
CID 11816644
ethyl (Z)-2-fluoro-3-thiophen-2-ylprop-2-enoate
CID 23650593
(5Z)-5-[(5-Methyl-2-thienyl)methylene]-2(5H)-furanone
CID 6242933
methyl (2Z,4E,6E)-3,5-dimethoxy-4-methyl-7-(2-thienyl)hepta-2,4,6-trienoate
CID 5275630
4-methoxy-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-one
CID 6248142
(5E)-5-(thiophen-2-ylmethylidene)furan-2-one
CID 12733525
ethyl (Z)-2-ethoxy-3-thiophen-2-ylprop-2-enoate
CID 14472491

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate?
The IUPAC name of methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate (CID 162787640) is methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate.
What is the SMILES notation for methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate?
The canonical SMILES for methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate is COC(=O)c1cc(=O)cc(/C=C/c2cccs2)o1.
What is the InChIKey of methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate?
The InChIKey is PZBSTJXIXWLHJN-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H10O4S/c1-16-13(15)12-8-9(14)7-10(17-12)4-5-11-3-2-6-18-11/h2-8H,1H3/b5-4+.
What are the key properties of methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate?
methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate has a molecular weight of 262.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxylate is sourced from PubChem (CID 162787640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).