(E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one

C9H10O2S — CID 15669497

IUPAC(E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one
SMILESCCO/C=C/C(=O)c1cccs1
InChIInChI=1S/C9H10O2S/c1-2-11-6-5-8(10)9-4-3-7-12-9/h3-7H,2H2,1H3/b6-5+
InChIKeyNTCSVLDDFOBVSC-AATRIKPKSA-N
MW182.24 g/mol
LogP2.48
Rot. Bonds4

About (E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one

(E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 15669497) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is (E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one
PubChem CID15669497
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name(E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one
SMILESCCO/C=C/C(=O)c1cccs1
InChIInChI=1S/C9H10O2S/c1-2-11-6-5-8(10)9-4-3-7-12-9/h3-7H,2H2,1H3/b6-5+
InChIKeyNTCSVLDDFOBVSC-AATRIKPKSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromothiophen-2-yl)-3-ethoxyprop-2-en-1-one
CID 76951531
(E)-1-thiophen-2-ylbut-2-en-1-one
CID 5385859
methyl (E)-4-oxo-4-thiophen-2-ylbut-2-enoate
CID 12533385
(E)-3-(4-ethoxyanilino)-1-thiophen-2-ylprop-2-en-1-one
CID 2210604
3-[4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 71356375
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
(E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 5387158
3-ethoxy-2-isocyano-1-thiophen-2-ylprop-2-en-1-one
CID 74005764
2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
2-[[(Z)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]acetonitrile
CID 43834759
1-thiophen-2-ylpropan-1-one
CID 26179
(E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 82185585

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one (CID 15669497) is (E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one is CCO/C=C/C(=O)c1cccs1.
What is the InChIKey of (E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is NTCSVLDDFOBVSC-AATRIKPKSA-N. The full InChI is InChI=1S/C9H10O2S/c1-2-11-6-5-8(10)9-4-3-7-12-9/h3-7H,2H2,1H3/b6-5+.
What are the key properties of (E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one?
(E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 182.24 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethoxy-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 15669497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).