1-ethyl-5-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile

C9H12N2O2 — CID 56991785

IUPAC1-ethyl-5-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile
SMILESCCN1CC(C#N)=C(C)C(O)C1=O
InChIInChI=1S/C9H12N2O2/c1-3-11-5-7(4-10)6(2)8(12)9(11)13/h8,12H,3,5H2,1-2H3
InChIKeyXLAMAYTYGNBWMC-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.05
Rot. Bonds1

About 1-ethyl-5-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile

1-ethyl-5-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile (PubChem CID 56991785) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-ethyl-5-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-5-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile
PubChem CID56991785
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-ethyl-5-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile
SMILESCCN1CC(C#N)=C(C)C(O)C1=O
InChIInChI=1S/C9H12N2O2/c1-3-11-5-7(4-10)6(2)8(12)9(11)13/h8,12H,3,5H2,1-2H3
InChIKeyXLAMAYTYGNBWMC-UHFFFAOYSA-N
XLogP0.05
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-5-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile (CID 56991785) is 1-ethyl-5-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-5-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-5-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile is CCN1CC(C#N)=C(C)C(O)C1=O.
What is the InChIKey of 1-ethyl-5-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile?
The InChIKey is XLAMAYTYGNBWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-11-5-7(4-10)6(2)8(12)9(11)13/h8,12H,3,5H2,1-2H3.
What are the key properties of 1-ethyl-5-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile?
1-ethyl-5-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile has a molecular weight of 180.21 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 56991785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).