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

C12H9NO3S — CID 162787622

IUPAC4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxamide
SMILESNC(=O)c1cc(=O)cc(/C=C/c2cccs2)o1
InChIInChI=1S/C12H9NO3S/c13-12(15)11-7-8(14)6-9(16-11)3-4-10-2-1-5-17-10/h1-7H,(H2,13,15)/b4-3+
InChIKeyHTJFDOORXRBORJ-ONEGZZNKSA-N
MW247.28 g/mol
LogP1.97
Rot. Bonds3

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

4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxamide (PubChem CID 162787622) has the molecular formula C12H9NO3S and a molecular weight of 247.28 g/mol. Its IUPAC name is 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxamide.

Molecular Properties

Compound Name4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxamide
PubChem CID162787622
Molecular FormulaC12H9NO3S
Molecular Weight247.28 g/mol
Exact Mass247.03
IUPAC Name4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxamide
SMILESNC(=O)c1cc(=O)cc(/C=C/c2cccs2)o1
InChIInChI=1S/C12H9NO3S/c13-12(15)11-7-8(14)6-9(16-11)3-4-10-2-1-5-17-10/h1-7H,(H2,13,15)/b4-3+
InChIKeyHTJFDOORXRBORJ-ONEGZZNKSA-N
XLogP1.97
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxamide?
The IUPAC name of 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxamide (CID 162787622) is 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxamide.
What is the SMILES notation for 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxamide?
The canonical SMILES for 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxamide is NC(=O)c1cc(=O)cc(/C=C/c2cccs2)o1.
What is the InChIKey of 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxamide?
The InChIKey is HTJFDOORXRBORJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H9NO3S/c13-12(15)11-7-8(14)6-9(16-11)3-4-10-2-1-5-17-10/h1-7H,(H2,13,15)/b4-3+.
What are the key properties of 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxamide?
4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxamide has a molecular weight of 247.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyran-2-carboxamide is sourced from PubChem (CID 162787622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).