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

C11H14N2O — CID 137078774

IUPAC4-cyclobutyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one
SMILES[H]/N=C/c1c(C2CCC2)cc(C)[nH]c1=O
InChIInChI=1S/C11H14N2O/c1-7-5-9(8-3-2-4-8)10(6-12)11(14)13-7/h5-6,8,12H,2-4H2,1H3,(H,13,14)/b12-6+
InChIKeyOHPCTOWMRCBFLK-WUXMJOGZSA-N
MW190.25 g/mol
LogP1.95
Rot. Bonds2

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

4-cyclobutyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one (PubChem CID 137078774) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-cyclobutyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-cyclobutyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one
PubChem CID137078774
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-cyclobutyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one
SMILES[H]/N=C/c1c(C2CCC2)cc(C)[nH]c1=O
InChIInChI=1S/C11H14N2O/c1-7-5-9(8-3-2-4-8)10(6-12)11(14)13-7/h5-6,8,12H,2-4H2,1H3,(H,13,14)/b12-6+
InChIKeyOHPCTOWMRCBFLK-WUXMJOGZSA-N
XLogP1.95
TPSA56.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.95
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-cyclobutyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-cyclobutyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one (CID 137078774) is 4-cyclobutyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-cyclobutyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-cyclobutyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one is [H]/N=C/c1c(C2CCC2)cc(C)[nH]c1=O.
What is the InChIKey of 4-cyclobutyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one?
The InChIKey is OHPCTOWMRCBFLK-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-5-9(8-3-2-4-8)10(6-12)11(14)13-7/h5-6,8,12H,2-4H2,1H3,(H,13,14)/b12-6+.
What are the key properties of 4-cyclobutyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one?
4-cyclobutyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 137078774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).