(4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione

C22H20N2O6 — CID 5345354

IUPAC(4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CC2CCCO2)C(c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccccc1
InChIInChI=1S/C22H20N2O6/c25-20(14-7-2-1-3-8-14)18-19(16-10-4-5-11-17(16)24(28)29)23(22(27)21(18)26)13-15-9-6-12-30-15/h1-5,7-8,10-11,15,19,25H,6,9,12-13H2/b20-18-
InChIKeyFSPZHJTZIKJIHD-ZZEZOPTASA-N
MW408.41 g/mol
LogP3.20
Rot. Bonds5

About (4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione

(4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione (PubChem CID 5345354) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is (4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
PubChem CID5345354
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Name(4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CC2CCCO2)C(c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccccc1
InChIInChI=1S/C22H20N2O6/c25-20(14-7-2-1-3-8-14)18-19(16-10-4-5-11-17(16)24(28)29)23(22(27)21(18)26)13-15-9-6-12-30-15/h1-5,7-8,10-11,15,19,25H,6,9,12-13H2/b20-18-
InChIKeyFSPZHJTZIKJIHD-ZZEZOPTASA-N
XLogP3.20
TPSA109.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione (CID 5345354) is (4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione is O=C1C(=O)N(CC2CCCO2)C(c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccccc1.
What is the InChIKey of (4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione?
The InChIKey is FSPZHJTZIKJIHD-ZZEZOPTASA-N. The full InChI is InChI=1S/C22H20N2O6/c25-20(14-7-2-1-3-8-14)18-19(16-10-4-5-11-17(16)24(28)29)23(22(27)21(18)26)13-15-9-6-12-30-15/h1-5,7-8,10-11,15,19,25H,6,9,12-13H2/b20-18-.
What are the key properties of (4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione?
(4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione has a molecular weight of 408.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 5345354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).