5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one

C9H12N2O2 — CID 178106779

IUPAC5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one
SMILESCC/N=C(\C)c1ccc(=O)n(O)c1
InChIInChI=1S/C9H12N2O2/c1-3-10-7(2)8-4-5-9(12)11(13)6-8/h4-6,13H,3H2,1-2H3/b10-7+
InChIKeyGMPUKZHXBBBICM-JXMROGBWSA-N
MW180.21 g/mol
LogP0.91
Rot. Bonds2

About 5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one

5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one (PubChem CID 178106779) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one.

Molecular Properties

Compound Name5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one
PubChem CID178106779
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one
SMILESCC/N=C(\C)c1ccc(=O)n(O)c1
InChIInChI=1S/C9H12N2O2/c1-3-10-7(2)8-4-5-9(12)11(13)6-8/h4-6,13H,3H2,1-2H3/b10-7+
InChIKeyGMPUKZHXBBBICM-JXMROGBWSA-N
XLogP0.91
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one?
The IUPAC name of 5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one (CID 178106779) is 5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one.
What is the SMILES notation for 5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one?
The canonical SMILES for 5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one is CC/N=C(\C)c1ccc(=O)n(O)c1.
What is the InChIKey of 5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one?
The InChIKey is GMPUKZHXBBBICM-JXMROGBWSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-10-7(2)8-4-5-9(12)11(13)6-8/h4-6,13H,3H2,1-2H3/b10-7+.
What are the key properties of 5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one?
5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one is sourced from PubChem (CID 178106779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).