2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile

C11H14N2O2 — CID 142172978

IUPAC2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile
SMILESC=C1C(C)=C(C#N)C(=O)N(CCC)C1O
InChIInChI=1S/C11H14N2O2/c1-4-5-13-10(14)8(3)7(2)9(6-12)11(13)15/h10,14H,3-5H2,1-2H3
InChIKeyQPZYLVDFGXIVHG-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.95
Rot. Bonds2

About 2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile

2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile (PubChem CID 142172978) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile
PubChem CID142172978
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile
SMILESC=C1C(C)=C(C#N)C(=O)N(CCC)C1O
InChIInChI=1S/C11H14N2O2/c1-4-5-13-10(14)8(3)7(2)9(6-12)11(13)15/h10,14H,3-5H2,1-2H3
InChIKeyQPZYLVDFGXIVHG-UHFFFAOYSA-N
XLogP0.95
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile?
The IUPAC name of 2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile (CID 142172978) is 2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile.
What is the SMILES notation for 2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile?
The canonical SMILES for 2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile is C=C1C(C)=C(C#N)C(=O)N(CCC)C1O.
What is the InChIKey of 2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile?
The InChIKey is QPZYLVDFGXIVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-4-5-13-10(14)8(3)7(2)9(6-12)11(13)15/h10,14H,3-5H2,1-2H3.
What are the key properties of 2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile?
2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile has a molecular weight of 206.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-3-methylidene-6-oxo-1-propyl-2H-pyridine-5-carbonitrile is sourced from PubChem (CID 142172978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).