1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one

C9H10N2O2 — CID 54115610

IUPAC1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one
SMILES[C-]#[N+]c1c(C)cc(=O)n(CC)c1O
InChIInChI=1S/C9H10N2O2/c1-4-11-7(12)5-6(2)8(10-3)9(11)13/h5,13H,4H2,1-2H3
InChIKeyNKDBBDHRJZLWDE-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.43
Rot. Bonds1

About 1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one

1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one (PubChem CID 54115610) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one
PubChem CID54115610
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one
SMILES[C-]#[N+]c1c(C)cc(=O)n(CC)c1O
InChIInChI=1S/C9H10N2O2/c1-4-11-7(12)5-6(2)8(10-3)9(11)13/h5,13H,4H2,1-2H3
InChIKeyNKDBBDHRJZLWDE-UHFFFAOYSA-N
XLogP1.43
TPSA46.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one?
The IUPAC name of 1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one (CID 54115610) is 1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one is [C-]#[N+]c1c(C)cc(=O)n(CC)c1O.
What is the InChIKey of 1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one?
The InChIKey is NKDBBDHRJZLWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-4-11-7(12)5-6(2)8(10-3)9(11)13/h5,13H,4H2,1-2H3.
What are the key properties of 1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one?
1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one has a molecular weight of 178.19 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-hydroxy-5-isocyano-4-methylpyridin-2-one is sourced from PubChem (CID 54115610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).