(E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-en-1-one

C11H8O2S — CID 5370228

IUPAC(E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)c1ccco1
InChIInChI=1S/C11H8O2S/c12-10(11-4-1-7-13-11)6-5-9-3-2-8-14-9/h1-8H/b6-5+
InChIKeyHIBLXINPOYYHFI-AATRIKPKSA-N
MW204.25 g/mol
LogP3.24
Rot. Bonds3

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

(E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 5370228) has the molecular formula C11H8O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-en-1-one
PubChem CID5370228
Molecular FormulaC11H8O2S
Molecular Weight204.25 g/mol
Exact Mass204.02
IUPAC Name(E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)c1ccco1
InChIInChI=1S/C11H8O2S/c12-10(11-4-1-7-13-11)6-5-9-3-2-8-14-9/h1-8H/b6-5+
InChIKeyHIBLXINPOYYHFI-AATRIKPKSA-N
XLogP3.24
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.24
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 (E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-en-1-one (CID 5370228) is (E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1cccs1)c1ccco1.
What is the InChIKey of (E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is HIBLXINPOYYHFI-AATRIKPKSA-N. The full InChI is InChI=1S/C11H8O2S/c12-10(11-4-1-7-13-11)6-5-9-3-2-8-14-9/h1-8H/b6-5+.
What are the key properties of (E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 204.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 5370228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).