(E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-morpholin-4-ylbut-2-en-1-one

C15H19ClN2O2S — CID 156810600

IUPAC(E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-morpholin-4-ylbut-2-en-1-one
SMILESO=C(/C=C/CN1CCOCC1)N1CCc2cc(Cl)sc2C1
InChIInChI=1S/C15H19ClN2O2S/c16-14-10-12-3-5-18(11-13(12)21-14)15(19)2-1-4-17-6-8-20-9-7-17/h1-2,10H,3-9,11H2/b2-1+
InChIKeyFIWXXTXPUBXQHV-OWOJBTEDSA-N
MW326.85 g/mol
LogP2.17
Rot. Bonds3

About (E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-morpholin-4-ylbut-2-en-1-one

(E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-morpholin-4-ylbut-2-en-1-one (PubChem CID 156810600) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is (E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-morpholin-4-ylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-morpholin-4-ylbut-2-en-1-one
PubChem CID156810600
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name(E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-morpholin-4-ylbut-2-en-1-one
SMILESO=C(/C=C/CN1CCOCC1)N1CCc2cc(Cl)sc2C1
InChIInChI=1S/C15H19ClN2O2S/c16-14-10-12-3-5-18(11-13(12)21-14)15(19)2-1-4-17-6-8-20-9-7-17/h1-2,10H,3-9,11H2/b2-1+
InChIKeyFIWXXTXPUBXQHV-OWOJBTEDSA-N
XLogP2.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-(3-hydroxypyrrolidin-1-yl)but-2-en-1-one
CID 156810223
(E)-1-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-pyrrolidin-1-ylbut-2-en-1-one
CID 170149787
(E)-1-(3-amino-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)-4-morpholin-4-ylbut-2-en-1-one
CID 143991568
(E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-piperidin-1-ylbut-2-en-1-one;1-ethyl-4-phenyl-3-(trifluoromethyl)pyrazole
CID 156810428
1-[3-[(1-benzylindazol-5-yl)amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-morpholin-4-ylbut-2-en-1-one
CID 66877405
(E)-4-morpholin-4-ylbut-2-enoic acid
CID 22466617
1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)prop-2-en-1-one;1-ethyl-4-phenylpyrazole
CID 156810454
(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone
CID 126853103
1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)prop-2-en-1-one;[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanetriol
CID 156810405
1-[2-[(E)-prop-1-enyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 156810370
1-[3-(3-chloro-4-fluoroanilino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-thiomorpholin-4-ylbut-2-en-1-one
CID 66877709
(E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one
CID 126491189

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-morpholin-4-ylbut-2-en-1-one?
The IUPAC name of (E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-morpholin-4-ylbut-2-en-1-one (CID 156810600) is (E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-morpholin-4-ylbut-2-en-1-one.
What is the SMILES notation for (E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-morpholin-4-ylbut-2-en-1-one?
The canonical SMILES for (E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-morpholin-4-ylbut-2-en-1-one is O=C(/C=C/CN1CCOCC1)N1CCc2cc(Cl)sc2C1.
What is the InChIKey of (E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-morpholin-4-ylbut-2-en-1-one?
The InChIKey is FIWXXTXPUBXQHV-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c16-14-10-12-3-5-18(11-13(12)21-14)15(19)2-1-4-17-6-8-20-9-7-17/h1-2,10H,3-9,11H2/b2-1+.
What are the key properties of (E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-morpholin-4-ylbut-2-en-1-one?
(E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-morpholin-4-ylbut-2-en-1-one has a molecular weight of 326.85 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-4-morpholin-4-ylbut-2-en-1-one is sourced from PubChem (CID 156810600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).