(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione

C22H23NO4 — CID 6183079

IUPAC(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
SMILESCc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(C)O)C2c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23NO4/c1-13-4-8-16(9-5-13)19-18(20(25)17-10-6-14(2)7-11-17)21(26)22(27)23(19)12-15(3)24/h4-11,15,19,24-25H,12H2,1-3H3/b20-18+
InChIKeyMIZKUKKXFCTIFA-CZIZESTLSA-N
MW365.43 g/mol
LogP3.11
Rot. Bonds4

About (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione

(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione (PubChem CID 6183079) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
PubChem CID6183079
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
SMILESCc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(C)O)C2c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23NO4/c1-13-4-8-16(9-5-13)19-18(20(25)17-10-6-14(2)7-11-17)21(26)22(27)23(19)12-15(3)24/h4-11,15,19,24-25H,12H2,1-3H3/b20-18+
InChIKeyMIZKUKKXFCTIFA-CZIZESTLSA-N
XLogP3.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)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

Related Compounds

4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 9821171
4-(2-((R)-2-((S)-3-hydroxyoct-1-enyl)-5-oxopyrrolidin-1-yl)ethyl)benzoate
CID 10291963
4-(2-((R)-2-((S)-3-hydroxyhept-1-enyl)-5-oxopyrrolidin-1-yl)ethyl)benzoate
CID 44442327
4-[2-[(2R)-2-[(E,3S)-3-hydroxynon-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 44455236
4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 57391585
(4E)-5-(4-fluorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-methylpyrrolidine-2,3-dione
CID 5853416
2-[3-[[(2R)-2-[(E,3S)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-5-oxopyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 10271903
4-[2-[(2R)-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 44455157
4-[2-[(2R)-2-[(E,3S)-3-hydroxyhex-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 44455158
1-[2-(dimethylamino)ethyl]-4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
CID 5310754
4-benzoyl-1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one
CID 5310892
(2S)-2-[[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-[4-(hydroxymethyl)phenyl]propanoic acid
CID 44376320

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione?
The IUPAC name of (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione (CID 6183079) is (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione is Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(C)O)C2c2ccc(C)cc2)cc1.
What is the InChIKey of (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione?
The InChIKey is MIZKUKKXFCTIFA-CZIZESTLSA-N. The full InChI is InChI=1S/C22H23NO4/c1-13-4-8-16(9-5-13)19-18(20(25)17-10-6-14(2)7-11-17)21(26)22(27)23(19)12-15(3)24/h4-11,15,19,24-25H,12H2,1-3H3/b20-18+.
What are the key properties of (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione?
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione has a molecular weight of 365.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 6183079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).