2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium

C21H25N2O4+ — CID 6981157

IUPAC2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium
SMILESCc1ccc(C(O)=C2C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)cc1
InChIInChI=1S/C21H24N2O4/c1-13-5-8-15(9-6-13)19(24)17-18(16-10-7-14(2)27-16)23(12-11-22(3)4)21(26)20(17)25/h5-10,18,24H,11-12H2,1-4H3/p+1/t18-/m0/s1
InChIKeyBUINGMMZDZOTBR-SFHVURJKSA-O
MW369.44 g/mol
LogP1.46
Rot. Bonds5

About 2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium

2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium (PubChem CID 6981157) has the molecular formula C21H25N2O4+ and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium
PubChem CID6981157
Molecular FormulaC21H25N2O4+
Molecular Weight369.44 g/mol
Exact Mass369.18
IUPAC Name2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium
SMILESCc1ccc(C(O)=C2C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)cc1
InChIInChI=1S/C21H24N2O4/c1-13-5-8-15(9-6-13)19(24)17-18(16-10-7-14(2)27-16)23(12-11-22(3)4)21(26)20(17)25/h5-10,18,24H,11-12H2,1-4H3/p+1/t18-/m0/s1
InChIKeyBUINGMMZDZOTBR-SFHVURJKSA-O
XLogP1.46
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.46
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 2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium 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

(4Z)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(5-methylfuran-2-yl)-1-pentylpyrrolidine-2,3-dione
CID 108660700
2-[(2R)-3-[hydroxy-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium
CID 7562434
3-[(2S)-3-[hydroxy-(4-propoxyphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]propyl-dimethylazanium
CID 7460597
1-[3-(diethylamino)propyl]-4-[hydroxy-(4-methylphenyl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 3152743
(4Z)-1-(furan-2-ylmethyl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 108659897
(E)-[1-[2-(diethylazaniumyl)ethyl]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-3-ylidene]-(4-methylphenyl)methanolate
CID 6377385
3-[(2R)-3-[hydroxy-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]propyl-dimethylazanium
CID 7509893
4-[hydroxy-(4-methylphenyl)methylidene]-5-(5-methylfuran-2-yl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
CID 4633245
3-[3-[hydroxy-(3-methoxyphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]propyl-dimethylazanium
CID 4752930
2-[(4E,5R)-4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-(4-propoxyphenyl)pyrrolidin-1-yl]ethyl-dimethylazanium
CID 6995421
2-[(5S)-4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]ethyl-dimethylazanium
CID 7023431
(4Z)-1-[2-(diethylamino)ethyl]-4-[hydroxy(phenyl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 108660753

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium?
The IUPAC name of 2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium (CID 6981157) is 2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium?
The canonical SMILES for 2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium is Cc1ccc(C(O)=C2C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)cc1.
What is the InChIKey of 2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium?
The InChIKey is BUINGMMZDZOTBR-SFHVURJKSA-O. The full InChI is InChI=1S/C21H24N2O4/c1-13-5-8-15(9-6-13)19(24)17-18(16-10-7-14(2)27-16)23(12-11-22(3)4)21(26)20(17)25/h5-10,18,24H,11-12H2,1-4H3/p+1/t18-/m0/s1.
What are the key properties of 2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium?
2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium has a molecular weight of 369.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]ethyl-dimethylazanium is sourced from PubChem (CID 6981157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).