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

C11H13NO2S — CID 2167137

IUPAC(E)-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCOCC1
InChIInChI=1S/C11H13NO2S/c13-11(12-5-7-14-8-6-12)4-3-10-2-1-9-15-10/h1-4,9H,5-8H2/b4-3+
InChIKeyKYCCUOPBWDJDOE-ONEGZZNKSA-N
MW223.30 g/mol
LogP1.62
Rot. Bonds2

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

(E)-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 2167137) 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-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one
PubChem CID2167137
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name(E)-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCOCC1
InChIInChI=1S/C11H13NO2S/c13-11(12-5-7-14-8-6-12)4-3-10-2-1-9-15-10/h1-4,9H,5-8H2/b4-3+
InChIKeyKYCCUOPBWDJDOE-ONEGZZNKSA-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

Thiophene-2-carboxylic acid, morpholide
CID 531921
(5Z)-2-(morpholin-4-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4(5H)-one
CID 691379
3-Morpholin-4-yl-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1872215
2-(4-morpholinyl)-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
CID 691378
1-[3-(2-Thienyl)acryloyl]piperidine
CID 896101
2,6-Dimethylmorpholin-4-yl 2-thienyl ketone
CID 2851287
1-[(2e,4e,6e)-7-(2-Thienyl)-2,4,6-heptatrienoyl]piperidine
CID 11821786
3-[2-(4-Morpholinyl)-2-oxoethyl]-5-(2-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 1232218
(2E)-2-(morpholin-4-ylcarbonyl)-3-(thiophen-2-yl)prop-2-enenitrile
CID 5714117
Morpholine, 4-(2-thienylacetyl)-
CID 531781
(E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide
CID 2313985
(2E,4E)-1-piperidin-1-yl-5-thiophen-2-ylpenta-2,4-dien-1-one
CID 138971052

Frequently Asked Questions

What is the IUPAC name of (E)-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one (CID 2167137) is (E)-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1cccs1)N1CCOCC1.
What is the InChIKey of (E)-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is KYCCUOPBWDJDOE-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-11(12-5-7-14-8-6-12)4-3-10-2-1-9-15-10/h1-4,9H,5-8H2/b4-3+.
What are the key properties of (E)-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-morpholin-4-yl-3-thiophen-2-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-2-ylprop-2-en-1-one is sourced from PubChem (CID 2167137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).