(3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione

C12H10N2O4 — CID 22733467

IUPAC(3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione
SMILESCO/C(=C1/NC(=O)/C(=N\O)C1=O)c1ccccc1
InChIInChI=1S/C12H10N2O4/c1-18-11(7-5-3-2-4-6-7)8-10(15)9(14-17)12(16)13-8/h2-6,17H,1H3,(H,13,16)/b11-8+,14-9-
InChIKeyUVJKSRVEYGJDIT-GZESYCOQSA-N
MW246.22 g/mol
LogP0.53
Rot. Bonds2

About (3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione

(3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione (PubChem CID 22733467) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is (3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name(3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione
PubChem CID22733467
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name(3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione
SMILESCO/C(=C1/NC(=O)/C(=N\O)C1=O)c1ccccc1
InChIInChI=1S/C12H10N2O4/c1-18-11(7-5-3-2-4-6-7)8-10(15)9(14-17)12(16)13-8/h2-6,17H,1H3,(H,13,16)/b11-8+,14-9-
InChIKeyUVJKSRVEYGJDIT-GZESYCOQSA-N
XLogP0.53
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

(3Z,5Z)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione
CID 10198768
(5Z)-5-[methoxy(phenyl)methylidene]pyrrolidine-2,3,4-trione
CID 69860678
5-[Methoxy(phenyl)methylidene]pyrrolidine-2,3,4-trione
CID 69860679
5-(Methoxyphenylmethylene)-pyrrolidine-2,3,4-trione 3-oxime
CID 73994020
5-[Methoxy(phenyl)methylidene]-3-nitrosopyrrolidine-2,4-dione
CID 90714825
5-[Methoxy(phenyl)methylidene]pyrrolidine-2,4-dione
CID 91278546
(3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione
CID 10446416

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione?
The IUPAC name of (3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione (CID 22733467) is (3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione.
What is the SMILES notation for (3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione?
The canonical SMILES for (3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione is CO/C(=C1/NC(=O)/C(=N\O)C1=O)c1ccccc1.
What is the InChIKey of (3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione?
The InChIKey is UVJKSRVEYGJDIT-GZESYCOQSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-18-11(7-5-3-2-4-6-7)8-10(15)9(14-17)12(16)13-8/h2-6,17H,1H3,(H,13,16)/b11-8+,14-9-.
What are the key properties of (3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione?
(3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione has a molecular weight of 246.22 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione is sourced from PubChem (CID 22733467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).