(E)-3-thiophen-2-ylprop-2-enoic acid

C7H6O2S — CID 735981

IUPAC(E)-3-thiophen-2-ylprop-2-enoic acid
SMILESO=C(O)/C=C/c1cccs1
InChIInChI=1S/C7H6O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+
InChIKeyKKMZQOIASVGJQE-ONEGZZNKSA-N
MW154.19 g/mol
LogP1.85
Rot. Bonds2

About (E)-3-thiophen-2-ylprop-2-enoic acid

(E)-3-thiophen-2-ylprop-2-enoic acid (PubChem CID 735981) has the molecular formula C7H6O2S and a molecular weight of 154.19 g/mol. Its IUPAC name is (E)-3-thiophen-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-thiophen-2-ylprop-2-enoic acid
PubChem CID735981
Molecular FormulaC7H6O2S
Molecular Weight154.19 g/mol
Exact Mass154.01
IUPAC Name(E)-3-thiophen-2-ylprop-2-enoic acid
SMILESO=C(O)/C=C/c1cccs1
InChIInChI=1S/C7H6O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+
InChIKeyKKMZQOIASVGJQE-ONEGZZNKSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-ylprop-2-enoic acid?
The IUPAC name of (E)-3-thiophen-2-ylprop-2-enoic acid (CID 735981) is (E)-3-thiophen-2-ylprop-2-enoic acid.
What is the SMILES notation for (E)-3-thiophen-2-ylprop-2-enoic acid?
The canonical SMILES for (E)-3-thiophen-2-ylprop-2-enoic acid is O=C(O)/C=C/c1cccs1.
What is the InChIKey of (E)-3-thiophen-2-ylprop-2-enoic acid?
The InChIKey is KKMZQOIASVGJQE-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H6O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+.
What are the key properties of (E)-3-thiophen-2-ylprop-2-enoic acid?
(E)-3-thiophen-2-ylprop-2-enoic acid has a molecular weight of 154.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-ylprop-2-enoic acid is sourced from PubChem (CID 735981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).