5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione

C19H17NO4 — CID 5146714

IUPAC5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione
SMILESCN(C)c1ccc(C2OC(=O)C(=O)C2=C(O)c2ccccc2)cc1
InChIInChI=1S/C19H17NO4/c1-20(2)14-10-8-13(9-11-14)18-15(17(22)19(23)24-18)16(21)12-6-4-3-5-7-12/h3-11,18,21H,1-2H3
InChIKeyRDPQUECMSALZRC-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.89
Rot. Bonds3

About 5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione

5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione (PubChem CID 5146714) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione
PubChem CID5146714
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione
SMILESCN(C)c1ccc(C2OC(=O)C(=O)C2=C(O)c2ccccc2)cc1
InChIInChI=1S/C19H17NO4/c1-20(2)14-10-8-13(9-11-14)18-15(17(22)19(23)24-18)16(21)12-6-4-3-5-7-12/h3-11,18,21H,1-2H3
InChIKeyRDPQUECMSALZRC-UHFFFAOYSA-N
XLogP2.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.89
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-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-methylpyrrolidine-2,3-dione
CID 19590620
(4E)-5-(4-chlorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]oxolane-2,3-dione
CID 6224267
(5R)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
CID 1108816
1-benzyl-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 3378067
(5R)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 7421585
(5R)-1-[2-(dimethylamino)ethyl]-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 7252697
(5R)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 40504177
(5S)-5-[4-(dimethylamino)phenyl]-1-(furan-2-ylmethyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 7432126
(4E,5R)-4-[hydroxy(phenyl)methylidene]-5-(3-nitrophenyl)oxolane-2,3-dione
CID 7113811
3-[(2R)-2-[4-(dimethylamino)phenyl]-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]propanoate
CID 7447242
(4E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 108705756
6-[(3Z)-2-[4-(dimethylamino)phenyl]-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]hexanoic acid
CID 6614976

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione (CID 5146714) is 5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione is CN(C)c1ccc(C2OC(=O)C(=O)C2=C(O)c2ccccc2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione?
The InChIKey is RDPQUECMSALZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-20(2)14-10-8-13(9-11-14)18-15(17(22)19(23)24-18)16(21)12-6-4-3-5-7-12/h3-11,18,21H,1-2H3.
What are the key properties of 5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione?
5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione has a molecular weight of 323.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]oxolane-2,3-dione is sourced from PubChem (CID 5146714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).