(5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one

C18H19NO6 — CID 54737469

IUPAC(5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one
SMILESCOc1ccc(C2=C(O)/C(=C(/C)C(=O)N3CCOCC3)OC2=O)cc1
InChIInChI=1S/C18H19NO6/c1-11(17(21)19-7-9-24-10-8-19)16-15(20)14(18(22)25-16)12-3-5-13(23-2)6-4-12/h3-6,20H,7-10H2,1-2H3/b16-11+
InChIKeyHLFOKLHHPRQMSK-LFIBNONCSA-N
MW345.35 g/mol
LogP1.65
Rot. Bonds3

About (5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one

(5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one (PubChem CID 54737469) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is (5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one.

Molecular Properties

Compound Name(5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one
PubChem CID54737469
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name(5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one
SMILESCOc1ccc(C2=C(O)/C(=C(/C)C(=O)N3CCOCC3)OC2=O)cc1
InChIInChI=1S/C18H19NO6/c1-11(17(21)19-7-9-24-10-8-19)16-15(20)14(18(22)25-16)12-3-5-13(23-2)6-4-12/h3-6,20H,7-10H2,1-2H3/b16-11+
InChIKeyHLFOKLHHPRQMSK-LFIBNONCSA-N
XLogP1.65
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one with MolForge

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Related Compounds

(2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide
CID 54737471
(2E)-N-butyl-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]propanamide
CID 54737468
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 54322087
[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone
CID 11742058
3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110556352
3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione
CID 583985
[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110336268
methyl 2-[3-methoxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetate
CID 632599
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione
CID 7341191
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628

Frequently Asked Questions

What is the IUPAC name of (5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one?
The IUPAC name of (5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one (CID 54737469) is (5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one.
What is the SMILES notation for (5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one?
The canonical SMILES for (5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one is COc1ccc(C2=C(O)/C(=C(/C)C(=O)N3CCOCC3)OC2=O)cc1.
What is the InChIKey of (5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one?
The InChIKey is HLFOKLHHPRQMSK-LFIBNONCSA-N. The full InChI is InChI=1S/C18H19NO6/c1-11(17(21)19-7-9-24-10-8-19)16-15(20)14(18(22)25-16)12-3-5-13(23-2)6-4-12/h3-6,20H,7-10H2,1-2H3/b16-11+.
What are the key properties of (5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one?
(5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one has a molecular weight of 345.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one is sourced from PubChem (CID 54737469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).