2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one

C20H20N2O4 — CID 21008290

IUPAC2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc(N(C)C)cc1
InChIInChI=1S/C20H20N2O4/c1-4-11-22-17(13-7-9-14(10-8-13)21(2)3)16(19(24)20(22)25)18(23)15-6-5-12-26-15/h4-10,12,17,24H,1,11H2,2-3H3
InChIKeyZLJUHDWJGPUWCH-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.11
Rot. Bonds6

About 2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one

2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one (PubChem CID 21008290) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one
PubChem CID21008290
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc(N(C)C)cc1
InChIInChI=1S/C20H20N2O4/c1-4-11-22-17(13-7-9-14(10-8-13)21(2)3)16(19(24)20(22)25)18(23)15-6-5-12-26-15/h4-10,12,17,24H,1,11H2,2-3H3
InChIKeyZLJUHDWJGPUWCH-UHFFFAOYSA-N
XLogP3.11
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 1080473
(2R)-2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 1080476
2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108581182
(2S)-2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 7695989
2-[4-(diethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108691000
(2R)-1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 28797977
1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 4059891
(2S)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 7366501
3-acetyl-2-[4-(dimethylamino)phenyl]-4-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 43859779
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 7432209
1-butyl-2-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 44858136
1-[3-(dimethylamino)propyl]-2-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 2918514

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one (CID 21008290) is 2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one is C=CCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one?
The InChIKey is ZLJUHDWJGPUWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-4-11-22-17(13-7-9-14(10-8-13)21(2)3)16(19(24)20(22)25)18(23)15-6-5-12-26-15/h4-10,12,17,24H,1,11H2,2-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one?
2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one has a molecular weight of 352.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-prop-2-enyl-2H-pyrrol-5-one is sourced from PubChem (CID 21008290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).