(4Z)-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione

C26H22N2O5 — CID 108608505

IUPAC(4Z)-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
SMILESCCOc1cccc(CN2C(=O)C(=O)/C(=C(\O)c3c[nH]c4ccccc34)C2c2ccco2)c1
InChIInChI=1S/C26H22N2O5/c1-2-32-17-8-5-7-16(13-17)15-28-23(21-11-6-12-33-21)22(25(30)26(28)31)24(29)19-14-27-20-10-4-3-9-18(19)20/h3-14,23,27,29H,2,15H2,1H3/b24-22-
InChIKeyNANYPMCGWPAENO-GYHWCHFESA-N
MW442.47 g/mol
LogP4.78
Rot. Bonds6

About (4Z)-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione

(4Z)-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione (PubChem CID 108608505) has the molecular formula C26H22N2O5 and a molecular weight of 442.47 g/mol. Its IUPAC name is (4Z)-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
PubChem CID108608505
Molecular FormulaC26H22N2O5
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC Name(4Z)-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
SMILESCCOc1cccc(CN2C(=O)C(=O)/C(=C(\O)c3c[nH]c4ccccc34)C2c2ccco2)c1
InChIInChI=1S/C26H22N2O5/c1-2-32-17-8-5-7-16(13-17)15-28-23(21-11-6-12-33-21)22(25(30)26(28)31)24(29)19-14-27-20-10-4-3-9-18(19)20/h3-14,23,27,29H,2,15H2,1H3/b24-22-
InChIKeyNANYPMCGWPAENO-GYHWCHFESA-N
XLogP4.78
TPSA95.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 54.78
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)-4-[(2,4-diethoxyphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidine-2,3-dione
CID 108657203
(4Z)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione
CID 108656675
(4Z)-4-[(3,5-dichloro-2-methoxyphenyl)-hydroxymethylidene]-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108608522
(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108608538
(4Z)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(thiophen-2-ylmethyl)pyrrolidine-2,3-dione
CID 108652859
(4E,5S)-1-[2-(dimethylamino)ethyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
CID 98359192
(4Z)-4-[(2-chloro-5-ethoxyphenyl)-hydroxymethylidene]-1-[(4-ethoxyphenyl)methyl]-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108608340
(4Z)-4-[(3-bromo-4-methoxyphenyl)-hydroxymethylidene]-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108608582
(4Z)-5-(3-ethoxyphenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 108636390
(5S)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 1082476
(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-[(3-methoxyphenyl)methyl]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108721549
(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidine-2,3-dione
CID 108657218

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione (CID 108608505) is (4Z)-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione is CCOc1cccc(CN2C(=O)C(=O)/C(=C(\O)c3c[nH]c4ccccc34)C2c2ccco2)c1.
What is the InChIKey of (4Z)-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione?
The InChIKey is NANYPMCGWPAENO-GYHWCHFESA-N. The full InChI is InChI=1S/C26H22N2O5/c1-2-32-17-8-5-7-16(13-17)15-28-23(21-11-6-12-33-21)22(25(30)26(28)31)24(29)19-14-27-20-10-4-3-9-18(19)20/h3-14,23,27,29H,2,15H2,1H3/b24-22-.
What are the key properties of (4Z)-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione?
(4Z)-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione has a molecular weight of 442.47 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-[(3-ethoxyphenyl)methyl]-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione is sourced from PubChem (CID 108608505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).