3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one

C15H12N2O4 — CID 75793823

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccn1
InChIInChI=1S/C15H12N2O4/c1-17-12(9-5-2-3-7-16-9)11(14(19)15(17)20)13(18)10-6-4-8-21-10/h2-8,12,19H,1H3
InChIKeyFGFNECIOEDDFAS-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.88
Rot. Bonds3

About 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 75793823) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID75793823
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccn1
InChIInChI=1S/C15H12N2O4/c1-17-12(9-5-2-3-7-16-9)11(14(19)15(17)20)13(18)10-6-4-8-21-10/h2-8,12,19H,1H3
InChIKeyFGFNECIOEDDFAS-UHFFFAOYSA-N
XLogP1.88
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one (CID 75793823) is 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one is CN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccn1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is FGFNECIOEDDFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-17-12(9-5-2-3-7-16-9)11(14(19)15(17)20)13(18)10-6-4-8-21-10/h2-8,12,19H,1H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 284.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 75793823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).