(Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one

C15H15NO3S — CID 93045512

IUPAC(Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C\c1ccc(N2CCOCC2)o1)c1cccs1
InChIInChI=1S/C15H15NO3S/c17-13(14-2-1-11-20-14)5-3-12-4-6-15(19-12)16-7-9-18-10-8-16/h1-6,11H,7-10H2/b5-3-
InChIKeyWKXLQRHBWKCXBR-HYXAFXHYSA-N
MW289.36 g/mol
LogP3.07
Rot. Bonds4

About (Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one

(Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 93045512) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is (Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one
PubChem CID93045512
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name(Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C\c1ccc(N2CCOCC2)o1)c1cccs1
InChIInChI=1S/C15H15NO3S/c17-13(14-2-1-11-20-14)5-3-12-4-6-15(19-12)16-7-9-18-10-8-16/h1-6,11H,7-10H2/b5-3-
InChIKeyWKXLQRHBWKCXBR-HYXAFXHYSA-N
XLogP3.07
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 2892037
(E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 5344040
3-[4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 71356375
(Z)-3-[1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 92945486
(E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 19544674
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6906036
(E)-3-[5-[(2-chlorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 19544697
ethyl 4-[5-(3-oxo-3-thiophen-2-ylprop-1-enyl)furan-2-yl]benzoate
CID 4736129
(E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 5387158
(E)-1-thiophen-2-ylbut-2-en-1-one
CID 5385859
[1-(morpholine-4-carbonyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394387
(E)-3-(5-bromofuran-2-yl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)prop-2-enamide
CID 47005195

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one (CID 93045512) is (Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one is O=C(/C=C\c1ccc(N2CCOCC2)o1)c1cccs1.
What is the InChIKey of (Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is WKXLQRHBWKCXBR-HYXAFXHYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-13(14-2-1-11-20-14)5-3-12-4-6-15(19-12)16-7-9-18-10-8-16/h1-6,11H,7-10H2/b5-3-.
What are the key properties of (Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one?
(Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 289.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 93045512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).