(5R)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione

C17H15NO5 — CID 30491572

IUPAC(5R)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione
SMILESCOc1ccc(C(O)=C2C(=O)C(=O)N(C)[C@H]2c2ccco2)cc1
InChIInChI=1S/C17H15NO5/c1-18-14(12-4-3-9-23-12)13(16(20)17(18)21)15(19)10-5-7-11(22-2)8-6-10/h3-9,14,19H,1-2H3/t14-/m0/s1
InChIKeyZAMMCWFLAXQNAB-AWEZNQCLSA-N
MW313.31 g/mol
LogP2.34
Rot. Bonds3

About (5R)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione

(5R)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione (PubChem CID 30491572) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is (5R)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(5R)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione
PubChem CID30491572
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name(5R)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione
SMILESCOc1ccc(C(O)=C2C(=O)C(=O)N(C)[C@H]2c2ccco2)cc1
InChIInChI=1S/C17H15NO5/c1-18-14(12-4-3-9-23-12)13(16(20)17(18)21)15(19)10-5-7-11(22-2)8-6-10/h3-9,14,19H,1-2H3/t14-/m0/s1
InChIKeyZAMMCWFLAXQNAB-AWEZNQCLSA-N
XLogP2.34
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
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)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-propan-2-yloxypropyl)pyrrolidine-2,3-dione
CID 108656973
(4Z)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108607871
(5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione
CID 1117300
(4Z)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(thiophen-2-ylmethyl)pyrrolidine-2,3-dione
CID 108652914
(4Z)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
CID 108655947
(4Z)-5-(furan-2-yl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,3-dione
CID 108655858
(4Z)-5-(furan-2-yl)-4-[hydroxy-(4-propoxyphenyl)methylidene]-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2,3-dione
CID 108608203
4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione
CID 2868730
(4Z)-1-(3,5-dimethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108606813
(4E)-1-(1H-benzimidazol-2-yl)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108657494
(4Z)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2,3-dione
CID 108685568
methyl 2-[2-(furan-2-yl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 3456587

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione?
The IUPAC name of (5R)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione (CID 30491572) is (5R)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione.
What is the SMILES notation for (5R)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione?
The canonical SMILES for (5R)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione is COc1ccc(C(O)=C2C(=O)C(=O)N(C)[C@H]2c2ccco2)cc1.
What is the InChIKey of (5R)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione?
The InChIKey is ZAMMCWFLAXQNAB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15NO5/c1-18-14(12-4-3-9-23-12)13(16(20)17(18)21)15(19)10-5-7-11(22-2)8-6-10/h3-9,14,19H,1-2H3/t14-/m0/s1.
What are the key properties of (5R)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione?
(5R)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione has a molecular weight of 313.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione is sourced from PubChem (CID 30491572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).