3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one

C12H15NO2S — CID 76872983

IUPAC3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one
SMILESCc1ccc(C=CC(=O)N2CCOCC2)s1
InChIInChI=1S/C12H15NO2S/c1-10-2-3-11(16-10)4-5-12(14)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3
InChIKeyVVKBLLSMKSPSEV-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.93
Rot. Bonds2

About 3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one

3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 76872983) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID76872983
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one
SMILESCc1ccc(C=CC(=O)N2CCOCC2)s1
InChIInChI=1S/C12H15NO2S/c1-10-2-3-11(16-10)4-5-12(14)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3
InChIKeyVVKBLLSMKSPSEV-UHFFFAOYSA-N
XLogP1.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.93
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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Related Compounds

(E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one
CID 17432981
ethane;(E)-3-(2-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 144503557
(E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 40685080
(E)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 112627196
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
(E)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 60703625
(E)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 115775121
methyl 1-[3-(5-methylthiophen-2-yl)prop-2-enoyl]pyrrolidine-3-carboxylate
CID 78968114
(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
(E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 9428236
3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 78163324
3-(2-iodophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 123233908

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of 3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one (CID 76872983) is 3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one is Cc1ccc(C=CC(=O)N2CCOCC2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is VVKBLLSMKSPSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-10-2-3-11(16-10)4-5-12(14)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3.
What are the key properties of 3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one?
3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 237.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 76872983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).