4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid

C19H15NO5 — CID 54600184

IUPAC4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid
SMILESCOc1ccc(/C=C2/CN(c3ccc(C(=O)O)cc3)C(=O)C2=O)cc1
InChIInChI=1S/C19H15NO5/c1-25-16-8-2-12(3-9-16)10-14-11-20(18(22)17(14)21)15-6-4-13(5-7-15)19(23)24/h2-10H,11H2,1H3,(H,23,24)/b14-10-
InChIKeyJVGHCDFCVAOAHR-UVTDQMKNSA-N
MW337.33 g/mol
LogP2.39
Rot. Bonds4

About 4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid

4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid (PubChem CID 54600184) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid
PubChem CID54600184
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid
SMILESCOc1ccc(/C=C2/CN(c3ccc(C(=O)O)cc3)C(=O)C2=O)cc1
InChIInChI=1S/C19H15NO5/c1-25-16-8-2-12(3-9-16)10-14-11-20(18(22)17(14)21)15-6-4-13(5-7-15)19(23)24/h2-10H,11H2,1H3,(H,23,24)/b14-10-
InChIKeyJVGHCDFCVAOAHR-UVTDQMKNSA-N
XLogP2.39
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]propanoic acid
CID 92525093
4-[(Z)-[(5Z)-5-[(4-carboxyphenyl)methylidene]-1-methyl-4-oxopiperidin-3-ylidene]methyl]benzoic acid
CID 92857571
4-[(Z)-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 18837409
4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzoic acid
CID 9447278
3-[(4E)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]propanoate
CID 6994913
4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid
CID 100830492
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-methoxybenzoic acid;silver
CID 140722019
1-ethyl-3,5-bis[(4-methoxyphenyl)methylidene]piperidin-4-one;hydrochloride
CID 73243048
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
(3Z,5Z)-1-benzyl-3,5-bis[(4-methoxyphenyl)methylidene]piperidin-4-one
CID 6966481

Frequently Asked Questions

What is the IUPAC name of 4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid?
The IUPAC name of 4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid (CID 54600184) is 4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid.
What is the SMILES notation for 4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid?
The canonical SMILES for 4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid is COc1ccc(/C=C2/CN(c3ccc(C(=O)O)cc3)C(=O)C2=O)cc1.
What is the InChIKey of 4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid?
The InChIKey is JVGHCDFCVAOAHR-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H15NO5/c1-25-16-8-2-12(3-9-16)10-14-11-20(18(22)17(14)21)15-6-4-13(5-7-15)19(23)24/h2-10H,11H2,1H3,(H,23,24)/b14-10-.
What are the key properties of 4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid?
4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid has a molecular weight of 337.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid is sourced from PubChem (CID 54600184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).