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

C19H17ClN2O3 — CID 108629930

IUPAC1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1c1cccnc1
InChIInChI=1S/C19H17ClN2O3/c1-11(2)17(23)15-16(12-5-4-8-21-10-12)22(19(25)18(15)24)14-7-3-6-13(20)9-14/h3-11,16,24H,1-2H3
InChIKeyGZYOOBXJCIWJNK-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.86
Rot. Bonds4

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

1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 108629930) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID108629930
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1c1cccnc1
InChIInChI=1S/C19H17ClN2O3/c1-11(2)17(23)15-16(12-5-4-8-21-10-12)22(19(25)18(15)24)14-7-3-6-13(20)9-14/h3-11,16,24H,1-2H3
InChIKeyGZYOOBXJCIWJNK-UHFFFAOYSA-N
XLogP3.86
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-3-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591029
1-(4-chloro-2-methylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591898
propan-2-yl 3-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzoate
CID 108673244
4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629325
4-[4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]benzonitrile
CID 108630365
1-(2,5-dimethylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629585
1-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108725115
[3-[4-hydroxy-1-(3-methoxyphenyl)-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-2-yl]phenyl] acetate
CID 108687996
(4E)-1-(3-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108629883
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(4-propan-2-ylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591048
1-(5-chloro-2-methylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591468
(2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one
CID 700028

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one (CID 108629930) is 1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1c1cccnc1.
What is the InChIKey of 1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is GZYOOBXJCIWJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-11(2)17(23)15-16(12-5-4-8-21-10-12)22(19(25)18(15)24)14-7-3-6-13(20)9-14/h3-11,16,24H,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 356.81 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108629930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).