5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione

C23H18N2O4 — CID 75095001

IUPAC5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione
SMILESCc1cccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)C2c2ccc(O)cc2)n1
InChIInChI=1S/C23H18N2O4/c1-14-6-5-9-18(24-14)25-20(15-10-12-17(26)13-11-15)19(22(28)23(25)29)21(27)16-7-3-2-4-8-16/h2-13,20,26-27H,1H3
InChIKeyBZESGKTVRJDZPI-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.72
Rot. Bonds3

About 5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione

5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione (PubChem CID 75095001) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione
PubChem CID75095001
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione
SMILESCc1cccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)C2c2ccc(O)cc2)n1
InChIInChI=1S/C23H18N2O4/c1-14-6-5-9-18(24-14)25-20(15-10-12-17(26)13-11-15)19(22(28)23(25)29)21(27)16-7-3-2-4-8-16/h2-13,20,26-27H,1H3
InChIKeyBZESGKTVRJDZPI-UHFFFAOYSA-N
XLogP3.72
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(5R)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione
CID 1345644
(4E,5R)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 5442055
(4E)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 6105042
(4Z,5R)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 98335436
(5S)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 7420614
(4E)-1-(2,5-dimethylphenyl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 108582379
(4E)-1-(2,4-dimethylphenyl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 108582900
(5R)-1-(3-chlorophenyl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 1122815
(4E)-1-(1H-benzimidazol-2-yl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 108583422
(5R)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 40504177
(4E)-1-(2,4-difluorophenyl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 108583074
(4E)-1-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108582500

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione?
The IUPAC name of 5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione (CID 75095001) is 5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione?
The canonical SMILES for 5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione is Cc1cccc(N2C(=O)C(=O)C(=C(O)c3ccccc3)C2c2ccc(O)cc2)n1.
What is the InChIKey of 5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione?
The InChIKey is BZESGKTVRJDZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-14-6-5-9-18(24-14)25-20(15-10-12-17(26)13-11-15)19(22(28)23(25)29)21(27)16-7-3-2-4-8-16/h2-13,20,26-27H,1H3.
What are the key properties of 5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione?
5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione has a molecular weight of 386.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 75095001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).