1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one

C12H14N2O3 — CID 71732149

IUPAC1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one
SMILESO=C(/C=C/n1ccccc1=O)N1CCOCC1
InChIInChI=1S/C12H14N2O3/c15-11-3-1-2-5-13(11)6-4-12(16)14-7-9-17-10-8-14/h1-6H,7-10H2/b6-4+
InChIKeySCVLYESBVVCECR-GQCTYLIASA-N
MW234.26 g/mol
LogP0.18
Rot. Bonds2

About 1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one

1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one (PubChem CID 71732149) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one
PubChem CID71732149
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one
SMILESO=C(/C=C/n1ccccc1=O)N1CCOCC1
InChIInChI=1S/C12H14N2O3/c15-11-3-1-2-5-13(11)6-4-12(16)14-7-9-17-10-8-14/h1-6H,7-10H2/b6-4+
InChIKeySCVLYESBVVCECR-GQCTYLIASA-N
XLogP0.18
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.18
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)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
3-(2-iodophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 123233908
(E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one
CID 11586936
ethane;(E)-3-(2-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 144503557
(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 93012407
1-[2-(morpholine-4-carbonyl)phenyl]pyridin-2-one
CID 6425155
(Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 2169518
(E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one
CID 17432981
(E)-3-(methylamino)-1-morpholin-4-ylprop-2-en-1-one
CID 129407797
3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110407799
ethane;(E)-1-morpholin-4-ylbut-2-en-1-one
CID 143019024
1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 55496052

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one?
The IUPAC name of 1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one (CID 71732149) is 1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one.
What is the SMILES notation for 1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one?
The canonical SMILES for 1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one is O=C(/C=C/n1ccccc1=O)N1CCOCC1.
What is the InChIKey of 1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one?
The InChIKey is SCVLYESBVVCECR-GQCTYLIASA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11-3-1-2-5-13(11)6-4-12(16)14-7-9-17-10-8-14/h1-6H,7-10H2/b6-4+.
What are the key properties of 1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one?
1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one has a molecular weight of 234.26 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyridin-2-one is sourced from PubChem (CID 71732149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).