6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one

C11H16N2O2 — CID 135827460

IUPAC6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one
SMILESCC/C(=N\OC)c1ccc(=O)[nH]c1CC
InChIInChI=1S/C11H16N2O2/c1-4-9-8(6-7-11(14)12-9)10(5-2)13-15-3/h6-7H,4-5H2,1-3H3,(H,12,14)/b13-10+
InChIKeyMLIRGNMDRKCDHS-JLHYYAGUSA-N
MW208.26 g/mol
LogP1.70
Rot. Bonds4

About 6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one

6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one (PubChem CID 135827460) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one
PubChem CID135827460
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one
SMILESCC/C(=N\OC)c1ccc(=O)[nH]c1CC
InChIInChI=1S/C11H16N2O2/c1-4-9-8(6-7-11(14)12-9)10(5-2)13-15-3/h6-7H,4-5H2,1-3H3,(H,12,14)/b13-10+
InChIKeyMLIRGNMDRKCDHS-JLHYYAGUSA-N
XLogP1.70
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-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 6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one?
The IUPAC name of 6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one (CID 135827460) is 6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one?
The canonical SMILES for 6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one is CC/C(=N\OC)c1ccc(=O)[nH]c1CC.
What is the InChIKey of 6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one?
The InChIKey is MLIRGNMDRKCDHS-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-9-8(6-7-11(14)12-9)10(5-2)13-15-3/h6-7H,4-5H2,1-3H3,(H,12,14)/b13-10+.
What are the key properties of 6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one?
6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one is sourced from PubChem (CID 135827460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).