(3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile

C9H10N2O2 — CID 7088107

IUPAC(3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESCOCC1=CC(C)=NC(=O)[C@@H]1C#N
InChIInChI=1S/C9H10N2O2/c1-6-3-7(5-13-2)8(4-10)9(12)11-6/h3,8H,5H2,1-2H3/t8-/m1/s1
InChIKeyYEIGHVOFFVNGBI-MRVPVSSYSA-N
MW178.19 g/mol
LogP0.70
Rot. Bonds2

About (3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile

(3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile (PubChem CID 7088107) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name(3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile
PubChem CID7088107
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESCOCC1=CC(C)=NC(=O)[C@@H]1C#N
InChIInChI=1S/C9H10N2O2/c1-6-3-7(5-13-2)8(4-10)9(12)11-6/h3,8H,5H2,1-2H3/t8-/m1/s1
InChIKeyYEIGHVOFFVNGBI-MRVPVSSYSA-N
XLogP0.70
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Methoxymethyl)-6-methyl-2-oxo-2,3-dihydropyridine-3-carbonitrile
CID 3728840
(3R)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile
CID 7088108
6-(methoxymethyl)-4-methyl-2-oxo-3H-pyridine-3-carbonitrile
CID 78172761
ethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate
CID 78175600
4-(hydroxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile
CID 178189042

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile?
The IUPAC name of (3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile (CID 7088107) is (3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile.
What is the SMILES notation for (3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile?
The canonical SMILES for (3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile is COCC1=CC(C)=NC(=O)[C@@H]1C#N.
What is the InChIKey of (3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile?
The InChIKey is YEIGHVOFFVNGBI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6-3-7(5-13-2)8(4-10)9(12)11-6/h3,8H,5H2,1-2H3/t8-/m1/s1.
What are the key properties of (3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile?
(3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 7088107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).