2-hydroxy-1-(2-methoxyethyl)-4-methyl-5-methylidene-6-oxo-2H-pyridine-3-carbonitrile

C11H14N2O3 — CID 142226687

IUPAC2-hydroxy-1-(2-methoxyethyl)-4-methyl-5-methylidene-6-oxo-2H-pyridine-3-carbonitrile
SMILESC=C1C(=O)N(CCOC)C(O)C(C#N)=C1C
InChIInChI=1S/C11H14N2O3/c1-7-8(2)10(14)13(4-5-16-3)11(15)9(7)6-12/h11,15H,2,4-5H2,1,3H3
InChIKeySATCZPIUXUCLJX-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.19
Rot. Bonds3

About 2-hydroxy-1-(2-methoxyethyl)-4-methyl-5-methylidene-6-oxo-2H-pyridine-3-carbonitrile

2-hydroxy-1-(2-methoxyethyl)-4-methyl-5-methylidene-6-oxo-2H-pyridine-3-carbonitrile (PubChem CID 142226687) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methoxyethyl)-4-methyl-5-methylidene-6-oxo-2H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-1-(2-methoxyethyl)-4-methyl-5-methylidene-6-oxo-2H-pyridine-3-carbonitrile
PubChem CID142226687
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-hydroxy-1-(2-methoxyethyl)-4-methyl-5-methylidene-6-oxo-2H-pyridine-3-carbonitrile
SMILESC=C1C(=O)N(CCOC)C(O)C(C#N)=C1C
InChIInChI=1S/C11H14N2O3/c1-7-8(2)10(14)13(4-5-16-3)11(15)9(7)6-12/h11,15H,2,4-5H2,1,3H3
InChIKeySATCZPIUXUCLJX-UHFFFAOYSA-N
XLogP0.19
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methoxyethyl)-4-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile
CID 59034220
2-Hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-3-carbonitrile
CID 91416215

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-methoxyethyl)-4-methyl-5-methylidene-6-oxo-2H-pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-1-(2-methoxyethyl)-4-methyl-5-methylidene-6-oxo-2H-pyridine-3-carbonitrile (CID 142226687) is 2-hydroxy-1-(2-methoxyethyl)-4-methyl-5-methylidene-6-oxo-2H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-1-(2-methoxyethyl)-4-methyl-5-methylidene-6-oxo-2H-pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-1-(2-methoxyethyl)-4-methyl-5-methylidene-6-oxo-2H-pyridine-3-carbonitrile is C=C1C(=O)N(CCOC)C(O)C(C#N)=C1C.
What is the InChIKey of 2-hydroxy-1-(2-methoxyethyl)-4-methyl-5-methylidene-6-oxo-2H-pyridine-3-carbonitrile?
The InChIKey is SATCZPIUXUCLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-8(2)10(14)13(4-5-16-3)11(15)9(7)6-12/h11,15H,2,4-5H2,1,3H3.
What are the key properties of 2-hydroxy-1-(2-methoxyethyl)-4-methyl-5-methylidene-6-oxo-2H-pyridine-3-carbonitrile?
2-hydroxy-1-(2-methoxyethyl)-4-methyl-5-methylidene-6-oxo-2H-pyridine-3-carbonitrile has a molecular weight of 222.24 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methoxyethyl)-4-methyl-5-methylidene-6-oxo-2H-pyridine-3-carbonitrile is sourced from PubChem (CID 142226687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).