ethyl (E)-3-thiophen-2-ylprop-2-enoate

C9H10O2S — CID 5372376

IUPACethyl (E)-3-thiophen-2-ylprop-2-enoate
SMILESCCOC(=O)/C=C/c1cccs1
InChIInChI=1S/C9H10O2S/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-7H,2H2,1H3/b6-5+
InChIKeyGFRCDOMEJDUQGT-AATRIKPKSA-N
MW182.24 g/mol
LogP2.32
Rot. Bonds3

About ethyl (E)-3-thiophen-2-ylprop-2-enoate

ethyl (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 5372376) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is ethyl (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID5372376
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Nameethyl (E)-3-thiophen-2-ylprop-2-enoate
SMILESCCOC(=O)/C=C/c1cccs1
InChIInChI=1S/C9H10O2S/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-7H,2H2,1H3/b6-5+
InChIKeyGFRCDOMEJDUQGT-AATRIKPKSA-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

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 ethyl (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of ethyl (E)-3-thiophen-2-ylprop-2-enoate (CID 5372376) is ethyl (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-thiophen-2-ylprop-2-enoate is CCOC(=O)/C=C/c1cccs1.
What is the InChIKey of ethyl (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is GFRCDOMEJDUQGT-AATRIKPKSA-N. The full InChI is InChI=1S/C9H10O2S/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-7H,2H2,1H3/b6-5+.
What are the key properties of ethyl (E)-3-thiophen-2-ylprop-2-enoate?
ethyl (E)-3-thiophen-2-ylprop-2-enoate 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 ethyl (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 5372376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).