(3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione

C12H9ClN2O4 — CID 10446416

IUPAC(3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione
SMILESCO/C(=C1\NC(=O)/C(=N\O)C1=O)c1ccccc1Cl
InChIInChI=1S/C12H9ClN2O4/c1-19-11(6-4-2-3-5-7(6)13)8-10(16)9(15-18)12(17)14-8/h2-5,18H,1H3,(H,14,17)/b11-8-,15-9-
InChIKeyFAZFYAYOPDGZLD-BTTAZIECSA-N
MW280.67 g/mol
LogP1.18
Rot. Bonds2

About (3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione

(3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione (PubChem CID 10446416) has the molecular formula C12H9ClN2O4 and a molecular weight of 280.67 g/mol. Its IUPAC name is (3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione.

Molecular Properties

Compound Name(3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione
PubChem CID10446416
Molecular FormulaC12H9ClN2O4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name(3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione
SMILESCO/C(=C1\NC(=O)/C(=N\O)C1=O)c1ccccc1Cl
InChIInChI=1S/C12H9ClN2O4/c1-19-11(6-4-2-3-5-7(6)13)8-10(16)9(15-18)12(17)14-8/h2-5,18H,1H3,(H,14,17)/b11-8-,15-9-
InChIKeyFAZFYAYOPDGZLD-BTTAZIECSA-N
XLogP1.18
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 51.18
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
5-(Methoxyphenylmethylene)-pyrrolidine-2,3,4-trione 3-oxime
CID 73994020
(3Z,5E)-3-hydroxyimino-5-[methoxy(phenyl)methylidene]pyrrolidine-2,4-dione
CID 22733467

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione?
The IUPAC name of (3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione (CID 10446416) is (3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione.
What is the SMILES notation for (3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione?
The canonical SMILES for (3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione is CO/C(=C1\NC(=O)/C(=N\O)C1=O)c1ccccc1Cl.
What is the InChIKey of (3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione?
The InChIKey is FAZFYAYOPDGZLD-BTTAZIECSA-N. The full InChI is InChI=1S/C12H9ClN2O4/c1-19-11(6-4-2-3-5-7(6)13)8-10(16)9(15-18)12(17)14-8/h2-5,18H,1H3,(H,14,17)/b11-8-,15-9-.
What are the key properties of (3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione?
(3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione has a molecular weight of 280.67 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-[(2-chlorophenyl)-methoxymethylidene]-3-hydroxyiminopyrrolidine-2,4-dione is sourced from PubChem (CID 10446416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).