(E)-1-morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one

C11H13NO2S — CID 23437820

IUPAC(E)-1-morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccsc1)N1CCOCC1
InChIInChI=1S/C11H13NO2S/c13-11(12-4-6-14-7-5-12)2-1-10-3-8-15-9-10/h1-3,8-9H,4-7H2/b2-1+
InChIKeyHAJCLZZSWYKJSD-OWOJBTEDSA-N
MW223.30 g/mol
LogP1.62
Rot. Bonds2

About (E)-1-morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one

(E)-1-morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one (PubChem CID 23437820) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is (E)-1-morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one
PubChem CID23437820
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name(E)-1-morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccsc1)N1CCOCC1
InChIInChI=1S/C11H13NO2S/c13-11(12-4-6-14-7-5-12)2-1-10-3-8-15-9-10/h1-3,8-9H,4-7H2/b2-1+
InChIKeyHAJCLZZSWYKJSD-OWOJBTEDSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.62
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

4-[3-(2-Thienyl)acryloyl]morpholine
CID 2167137
(2E,4E)-1-piperidin-1-yl-5-thiophen-3-ylpenta-2,4-dien-1-one
CID 147938711
methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate
CID 75413211
Morpholine, 4-[1-oxo-3-(2-thienyl)-2-propenyl]-
CID 887642
3-[(E)-3-thiophen-3-ylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 16043687
(Z)-2-fluoro-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one
CID 71740983
(E)-N,N-bis(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide
CID 39958624
(E)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-3-(thiophen-3-yl)prop-2-en-1-one
CID 56764676
3-(3-Morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 72061281
1-Morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one
CID 69373125
(5Z)-2-morpholin-4-yl-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one
CID 16371835
(5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 17453639

Frequently Asked Questions

What is the IUPAC name of (E)-1-morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one (CID 23437820) is (E)-1-morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one is O=C(/C=C/c1ccsc1)N1CCOCC1.
What is the InChIKey of (E)-1-morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one?
The InChIKey is HAJCLZZSWYKJSD-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-11(12-4-6-14-7-5-12)2-1-10-3-8-15-9-10/h1-3,8-9H,4-7H2/b2-1+.
What are the key properties of (E)-1-morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one?
(E)-1-morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one has a molecular weight of 223.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-morpholin-4-yl-3-thiophen-3-ylprop-2-en-1-one is sourced from PubChem (CID 23437820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).