3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one

C21H23NO4 — CID 108619332

IUPAC3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
SMILESCc1cccc(C2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccco2)c1
InChIInChI=1S/C21H23NO4/c1-13-7-5-8-14(11-13)17-16(19(24)21(2,3)4)18(23)20(25)22(17)12-15-9-6-10-26-15/h5-11,17,23H,12H2,1-4H3
InChIKeyWJSMOUJFYPOIQR-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.10
Rot. Bonds4

About 3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one

3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108619332) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
PubChem CID108619332
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
SMILESCc1cccc(C2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccco2)c1
InChIInChI=1S/C21H23NO4/c1-13-7-5-8-14(11-13)17-16(19(24)21(2,3)4)18(23)20(25)22(17)12-15-9-6-10-26-15/h5-11,17,23H,12H2,1-4H3
InChIKeyWJSMOUJFYPOIQR-UHFFFAOYSA-N
XLogP4.10
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 108649378
3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108612408
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-methylphenyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108619419
3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 108645244
(2S)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 1083217
2-(4-tert-butylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 4630763
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 4735505
acetic acid;pentakis(2-(3-chlorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one)
CID 163330389
(2S)-2-(3-butoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 9498438
1-(furan-2-ylmethyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108659912
3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 565942
2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 43860027

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one (CID 108619332) is 3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one is Cc1cccc(C2C(C(=O)C(C)(C)C)=C(O)C(=O)N2Cc2ccco2)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is WJSMOUJFYPOIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-13-7-5-8-14(11-13)17-16(19(24)21(2,3)4)18(23)20(25)22(17)12-15-9-6-10-26-15/h5-11,17,23H,12H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one?
3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 353.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108619332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).