1-ethyl-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one

C10H12N2O2 — CID 59676324

IUPAC1-ethyl-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one
SMILES[C-]#[N+]c1c(C)c(C)c(O)n(CC)c1=O
InChIInChI=1S/C10H12N2O2/c1-5-12-9(13)7(3)6(2)8(11-4)10(12)14/h13H,5H2,1-3H3
InChIKeyHXWDMXHCUASORY-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.74
Rot. Bonds1

About 1-ethyl-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one

1-ethyl-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one (PubChem CID 59676324) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-ethyl-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one
PubChem CID59676324
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-ethyl-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one
SMILES[C-]#[N+]c1c(C)c(C)c(O)n(CC)c1=O
InChIInChI=1S/C10H12N2O2/c1-5-12-9(13)7(3)6(2)8(11-4)10(12)14/h13H,5H2,1-3H3
InChIKeyHXWDMXHCUASORY-UHFFFAOYSA-N
XLogP1.74
TPSA46.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.74
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-3-isocyano-4,5-dimethylpyridin-2-one?
The IUPAC name of 1-ethyl-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one (CID 59676324) is 1-ethyl-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one.
What is the SMILES notation for 1-ethyl-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one?
The canonical SMILES for 1-ethyl-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one is [C-]#[N+]c1c(C)c(C)c(O)n(CC)c1=O.
What is the InChIKey of 1-ethyl-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one?
The InChIKey is HXWDMXHCUASORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-5-12-9(13)7(3)6(2)8(11-4)10(12)14/h13H,5H2,1-3H3.
What are the key properties of 1-ethyl-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one?
1-ethyl-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one has a molecular weight of 192.22 g/mol, XLogP of 1.74, 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-3-isocyano-4,5-dimethylpyridin-2-one is sourced from PubChem (CID 59676324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).