3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one

C12H11NO4 — CID 135719130

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(C(=O)c2ccco2)c(=O)n1C
InChIInChI=1S/C12H11NO4/c1-7-6-8(14)10(12(16)13(7)2)11(15)9-4-3-5-17-9/h3-6,14H,1-2H3
InChIKeyUNBUSZNTMRNLHB-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.22
Rot. Bonds2

About 3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one

3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one (PubChem CID 135719130) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one
PubChem CID135719130
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(C(=O)c2ccco2)c(=O)n1C
InChIInChI=1S/C12H11NO4/c1-7-6-8(14)10(12(16)13(7)2)11(15)9-4-3-5-17-9/h3-6,14H,1-2H3
InChIKeyUNBUSZNTMRNLHB-UHFFFAOYSA-N
XLogP1.22
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 45104609
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1-butyl-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115357
furan-2-yl-(1-methylpyrrol-3-yl)methanone
CID 82280498
3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108582865
7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one
CID 54735344
5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 19115624
5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117096
3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108633684
5-hydroxy-2,3-dimethylisoquinolin-1-one
CID 115063617
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)furan-2-carboxamide
CID 22433222
3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 75793823

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one (CID 135719130) is 3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one is Cc1cc(O)c(C(=O)c2ccco2)c(=O)n1C.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one?
The InChIKey is UNBUSZNTMRNLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-7-6-8(14)10(12(16)13(7)2)11(15)9-4-3-5-17-9/h3-6,14H,1-2H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one?
3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one has a molecular weight of 233.22 g/mol, XLogP of 1.22, 2 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-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 135719130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).