(4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-hydroxyphenyl)pyrrolidine-2,3-dione

C23H19NO5 — CID 108653917

IUPAC(4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-hydroxyphenyl)pyrrolidine-2,3-dione
SMILESCCc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccc3O)C2c2ccco2)cc1
InChIInChI=1S/C23H19NO5/c1-2-14-9-11-15(12-10-14)21(26)19-20(18-8-5-13-29-18)24(23(28)22(19)27)16-6-3-4-7-17(16)25/h3-13,20,25-26H,2H2,1H3/b21-19-
InChIKeyHAMONBBNFDNSPS-VZCXRCSSSA-N
MW389.41 g/mol
LogP4.17
Rot. Bonds4

About (4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-hydroxyphenyl)pyrrolidine-2,3-dione

(4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-hydroxyphenyl)pyrrolidine-2,3-dione (PubChem CID 108653917) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is (4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-hydroxyphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-hydroxyphenyl)pyrrolidine-2,3-dione
PubChem CID108653917
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name(4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-hydroxyphenyl)pyrrolidine-2,3-dione
SMILESCCc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccc3O)C2c2ccco2)cc1
InChIInChI=1S/C23H19NO5/c1-2-14-9-11-15(12-10-14)21(26)19-20(18-8-5-13-29-18)24(23(28)22(19)27)16-6-3-4-7-17(16)25/h3-13,20,25-26H,2H2,1H3/b21-19-
InChIKeyHAMONBBNFDNSPS-VZCXRCSSSA-N
XLogP4.17
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.17
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

(4Z)-1-[4-(dimethylamino)phenyl]-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108652793
(4Z)-1-(3-chlorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108654786
(4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-propylpyrrolidine-2,3-dione
CID 108656696
(4Z)-1-cyclopentyl-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108657025
(4Z)-5-(furan-2-yl)-4-[hydroxy-(4-propoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108655594
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108654894
(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108654885
(4E)-4-[(4-ethylphenyl)-hydroxymethylidene]-1-(6-fluoro-1H-benzimidazol-2-yl)-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108608874
(4Z)-1-(4-chloro-2-methylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108655242
(4E)-1-(2,3-dimethylphenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione
CID 108638779
(4Z)-1-(2,5-difluorophenyl)-5-(furan-2-yl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 108655728
(4Z)-4-[(4-bromo-3-methylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108655552

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-hydroxyphenyl)pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-hydroxyphenyl)pyrrolidine-2,3-dione (CID 108653917) is (4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-hydroxyphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-hydroxyphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-hydroxyphenyl)pyrrolidine-2,3-dione is CCc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccc3O)C2c2ccco2)cc1.
What is the InChIKey of (4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-hydroxyphenyl)pyrrolidine-2,3-dione?
The InChIKey is HAMONBBNFDNSPS-VZCXRCSSSA-N. The full InChI is InChI=1S/C23H19NO5/c1-2-14-9-11-15(12-10-14)21(26)19-20(18-8-5-13-29-18)24(23(28)22(19)27)16-6-3-4-7-17(16)25/h3-13,20,25-26H,2H2,1H3/b21-19-.
What are the key properties of (4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-hydroxyphenyl)pyrrolidine-2,3-dione?
(4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-hydroxyphenyl)pyrrolidine-2,3-dione has a molecular weight of 389.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(2-hydroxyphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108653917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).