5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one

C11H14N2O — CID 163640637

IUPAC5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one
SMILESC=C/C=C\c1cc(C)c(=O)[nH]c1NC
InChIInChI=1S/C11H14N2O/c1-4-5-6-9-7-8(2)11(14)13-10(9)12-3/h4-7H,1H2,2-3H3,(H2,12,13,14)/b6-5-
InChIKeyIDYQEFHKFUJHBG-WAYWQWQTSA-N
MW190.25 g/mol
LogP1.92
Rot. Bonds3

About 5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one

5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one (PubChem CID 163640637) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one
PubChem CID163640637
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one
SMILESC=C/C=C\c1cc(C)c(=O)[nH]c1NC
InChIInChI=1S/C11H14N2O/c1-4-5-6-9-7-8(2)11(14)13-10(9)12-3/h4-7H,1H2,2-3H3,(H2,12,13,14)/b6-5-
InChIKeyIDYQEFHKFUJHBG-WAYWQWQTSA-N
XLogP1.92
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-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 5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one (CID 163640637) is 5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one is C=C/C=C\c1cc(C)c(=O)[nH]c1NC.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one?
The InChIKey is IDYQEFHKFUJHBG-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-5-6-9-7-8(2)11(14)13-10(9)12-3/h4-7H,1H2,2-3H3,(H2,12,13,14)/b6-5-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one?
5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one is sourced from PubChem (CID 163640637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).