3-ethanimidoyl-4-methyl-1H-pyridin-2-one

C8H10N2O — CID 143519758

IUPAC3-ethanimidoyl-4-methyl-1H-pyridin-2-one
SMILES[H]/N=C(\C)c1c(C)cc[nH]c1=O
InChIInChI=1S/C8H10N2O/c1-5-3-4-10-8(11)7(5)6(2)9/h3-4,9H,1-2H3,(H,10,11)/b9-6+
InChIKeyLYPMPAAEBLRBMG-RMKNXTFCSA-N
MW150.18 g/mol
LogP1.07
Rot. Bonds1

About 3-ethanimidoyl-4-methyl-1H-pyridin-2-one

3-ethanimidoyl-4-methyl-1H-pyridin-2-one (PubChem CID 143519758) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-ethanimidoyl-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethanimidoyl-4-methyl-1H-pyridin-2-one
PubChem CID143519758
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-ethanimidoyl-4-methyl-1H-pyridin-2-one
SMILES[H]/N=C(\C)c1c(C)cc[nH]c1=O
InChIInChI=1S/C8H10N2O/c1-5-3-4-10-8(11)7(5)6(2)9/h3-4,9H,1-2H3,(H,10,11)/b9-6+
InChIKeyLYPMPAAEBLRBMG-RMKNXTFCSA-N
XLogP1.07
TPSA56.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.07
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 3-ethanimidoyl-4-methyl-1H-pyridin-2-one?
The IUPAC name of 3-ethanimidoyl-4-methyl-1H-pyridin-2-one (CID 143519758) is 3-ethanimidoyl-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-ethanimidoyl-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-ethanimidoyl-4-methyl-1H-pyridin-2-one is [H]/N=C(\C)c1c(C)cc[nH]c1=O.
What is the InChIKey of 3-ethanimidoyl-4-methyl-1H-pyridin-2-one?
The InChIKey is LYPMPAAEBLRBMG-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5-3-4-10-8(11)7(5)6(2)9/h3-4,9H,1-2H3,(H,10,11)/b9-6+.
What are the key properties of 3-ethanimidoyl-4-methyl-1H-pyridin-2-one?
3-ethanimidoyl-4-methyl-1H-pyridin-2-one has a molecular weight of 150.18 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethanimidoyl-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 143519758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).