3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one

C21H21NO5 — CID 108616649

IUPAC3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
SMILESCC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccccc2O)C1c1ccc(O)cc1
InChIInChI=1S/C21H21NO5/c1-21(2,3)19(26)16-17(12-8-10-13(23)11-9-12)22(20(27)18(16)25)14-6-4-5-7-15(14)24/h4-11,17,23-25H,1-3H3
InChIKeyZWCZJMPNIOIPFP-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.61
Rot. Bonds3

About 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one

3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one (PubChem CID 108616649) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
PubChem CID108616649
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
SMILESCC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccccc2O)C1c1ccc(O)cc1
InChIInChI=1S/C21H21NO5/c1-21(2,3)19(26)16-17(12-8-10-13(23)11-9-12)22(20(27)18(16)25)14-6-4-5-7-15(14)24/h4-11,17,23-25H,1-3H3
InChIKeyZWCZJMPNIOIPFP-UHFFFAOYSA-N
XLogP3.61
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625765
(2R)-1-(3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one
CID 124680315
1-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108638973
2-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2H-pyrrol-5-one
CID 108710960
methyl 2-[4-[3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetate
CID 108669244
4-hydroxy-2-(4-hydroxyphenyl)-1-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108582777
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630190
4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108632810
1-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626112
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-methoxyphenyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108659224
1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108576033
4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108647386

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one (CID 108616649) is 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one is CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccccc2O)C1c1ccc(O)cc1.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one?
The InChIKey is ZWCZJMPNIOIPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-21(2,3)19(26)16-17(12-8-10-13(23)11-9-12)22(20(27)18(16)25)14-6-4-5-7-15(14)24/h4-11,17,23-25H,1-3H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one?
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one has a molecular weight of 367.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108616649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).