4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one

C9H12N2O — CID 137078769

IUPAC4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one
SMILES[H]/N=C/c1c(CC)cc(C)[nH]c1=O
InChIInChI=1S/C9H12N2O/c1-3-7-4-6(2)11-9(12)8(7)5-10/h4-5,10H,3H2,1-2H3,(H,11,12)/b10-5+
InChIKeyKOIATYIETWLXHR-BJMVGYQFSA-N
MW164.21 g/mol
LogP1.24
Rot. Bonds2

About 4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one

4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one (PubChem CID 137078769) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one
PubChem CID137078769
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one
SMILES[H]/N=C/c1c(CC)cc(C)[nH]c1=O
InChIInChI=1S/C9H12N2O/c1-3-7-4-6(2)11-9(12)8(7)5-10/h4-5,10H,3H2,1-2H3,(H,11,12)/b10-5+
InChIKeyKOIATYIETWLXHR-BJMVGYQFSA-N
XLogP1.24
TPSA56.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one (CID 137078769) is 4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one is [H]/N=C/c1c(CC)cc(C)[nH]c1=O.
What is the InChIKey of 4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one?
The InChIKey is KOIATYIETWLXHR-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H12N2O/c1-3-7-4-6(2)11-9(12)8(7)5-10/h4-5,10H,3H2,1-2H3,(H,11,12)/b10-5+.
What are the key properties of 4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one?
4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one has a molecular weight of 164.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 137078769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).