[(E)-3-thiophen-2-ylprop-2-enyl] acetate

C9H10O2S — CID 11298325

IUPAC[(E)-3-thiophen-2-ylprop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1cccs1
InChIInChI=1S/C9H10O2S/c1-8(10)11-6-2-4-9-5-3-7-12-9/h2-5,7H,6H2,1H3/b4-2+
InChIKeyZRDSOYZBCTVJDG-DUXPYHPUSA-N
MW182.24 g/mol
LogP2.32
Rot. Bonds3

About [(E)-3-thiophen-2-ylprop-2-enyl] acetate

[(E)-3-thiophen-2-ylprop-2-enyl] acetate (PubChem CID 11298325) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is [(E)-3-thiophen-2-ylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-thiophen-2-ylprop-2-enyl] acetate
PubChem CID11298325
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name[(E)-3-thiophen-2-ylprop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1cccs1
InChIInChI=1S/C9H10O2S/c1-8(10)11-6-2-4-9-5-3-7-12-9/h2-5,7H,6H2,1H3/b4-2+
InChIKeyZRDSOYZBCTVJDG-DUXPYHPUSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-thiophen-2-ylprop-2-enyl] acetate?
The IUPAC name of [(E)-3-thiophen-2-ylprop-2-enyl] acetate (CID 11298325) is [(E)-3-thiophen-2-ylprop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-thiophen-2-ylprop-2-enyl] acetate?
The canonical SMILES for [(E)-3-thiophen-2-ylprop-2-enyl] acetate is CC(=O)OC/C=C/c1cccs1.
What is the InChIKey of [(E)-3-thiophen-2-ylprop-2-enyl] acetate?
The InChIKey is ZRDSOYZBCTVJDG-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H10O2S/c1-8(10)11-6-2-4-9-5-3-7-12-9/h2-5,7H,6H2,1H3/b4-2+.
What are the key properties of [(E)-3-thiophen-2-ylprop-2-enyl] acetate?
[(E)-3-thiophen-2-ylprop-2-enyl] acetate has a molecular weight of 182.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-thiophen-2-ylprop-2-enyl] acetate is sourced from PubChem (CID 11298325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).