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

C18H16N2O4 — CID 108632810

IUPAC4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccccc2O)C1c1ccncc1
InChIInChI=1S/C18H16N2O4/c1-2-13(21)15-16(11-7-9-19-10-8-11)20(18(24)17(15)23)12-5-3-4-6-14(12)22/h3-10,16,22-23H,2H2,1H3
InChIKeyUGBRJAXCEVOQRV-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.67
Rot. Bonds4

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

4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one (PubChem CID 108632810) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
PubChem CID108632810
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccccc2O)C1c1ccncc1
InChIInChI=1S/C18H16N2O4/c1-2-13(21)15-16(11-7-9-19-10-8-11)20(18(24)17(15)23)12-5-3-4-6-14(12)22/h3-10,16,22-23H,2H2,1H3
InChIKeyUGBRJAXCEVOQRV-UHFFFAOYSA-N
XLogP2.67
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108593986
4-hydroxy-1-naphthalen-1-yl-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591725
4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108725203
4-hydroxy-3-propanoyl-2-pyridin-4-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108632042
4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108617309
4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629325
4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108647386
1-(4-fluorophenyl)-4-hydroxy-2-phenyl-3-propanoyl-2H-pyrrol-5-one
CID 108638122
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108616649
4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634202
1-(2,5-difluorophenyl)-4-hydroxy-3-propanoyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630627
4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108579072

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one (CID 108632810) is 4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(c2ccccc2O)C1c1ccncc1.
What is the InChIKey of 4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one?
The InChIKey is UGBRJAXCEVOQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-13(21)15-16(11-7-9-19-10-8-11)20(18(24)17(15)23)12-5-3-4-6-14(12)22/h3-10,16,22-23H,2H2,1H3.
What are the key properties of 4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one?
4-hydroxy-1-(2-hydroxyphenyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one has a molecular weight of 324.34 g/mol, XLogP of 2.67, 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-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108632810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).