4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one

C19H18N2O4 — CID 108629325

IUPAC4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccccc2O)C1c1cccnc1
InChIInChI=1S/C19H18N2O4/c1-11(2)17(23)15-16(12-6-5-9-20-10-12)21(19(25)18(15)24)13-7-3-4-8-14(13)22/h3-11,16,22,24H,1-2H3
InChIKeyZWXFBODGBOIAPK-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.91
Rot. Bonds4

About 4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one

4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 108629325) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID108629325
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccccc2O)C1c1cccnc1
InChIInChI=1S/C19H18N2O4/c1-11(2)17(23)15-16(12-6-5-9-20-10-12)21(19(25)18(15)24)13-7-3-4-8-14(13)22/h3-11,16,22,24H,1-2H3
InChIKeyZWXFBODGBOIAPK-UHFFFAOYSA-N
XLogP2.91
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-2-methylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591898
1-(2,5-dimethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629585
4-hydroxy-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591029
1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629930
4-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzonitrile
CID 108630365
propan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate
CID 108673244
2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108653949
4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591725
4-hydroxy-3-(2-methylpropanoyl)-1-(3-propan-2-yloxypropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631693
1-(4-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108628981
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-methoxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626548

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one (CID 108629325) is 4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(c2ccccc2O)C1c1cccnc1.
What is the InChIKey of 4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is ZWXFBODGBOIAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11(2)17(23)15-16(12-6-5-9-20-10-12)21(19(25)18(15)24)13-7-3-4-8-14(13)22/h3-11,16,22,24H,1-2H3.
What are the key properties of 4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 338.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108629325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).