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

C11H14N2O — CID 142086971

IUPAC5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one
SMILESC=C/C=C(\NC)n1cc(C)ccc1=O
InChIInChI=1S/C11H14N2O/c1-4-5-10(12-3)13-8-9(2)6-7-11(13)14/h4-8,12H,1H2,2-3H3/b10-5+
InChIKeyWGQBEYWATWHWND-BJMVGYQFSA-N
MW190.25 g/mol
LogP1.36
Rot. Bonds3

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

5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one (PubChem CID 142086971) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one.

Molecular Properties

Compound Name5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one
PubChem CID142086971
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one
SMILESC=C/C=C(\NC)n1cc(C)ccc1=O
InChIInChI=1S/C11H14N2O/c1-4-5-10(12-3)13-8-9(2)6-7-11(13)14/h4-8,12H,1H2,2-3H3/b10-5+
InChIKeyWGQBEYWATWHWND-BJMVGYQFSA-N
XLogP1.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Dimethylaminomethyl-1H-pyridin-2-one
CID 14846982
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CID 13815967
5-[(E)-3-oxobut-1-enyl]-1H-pyrimidine-2,4-dione
CID 6284909
Butenylpyridinone
CID 91431881
trans-Propenyl-pyridone
CID 91565194
Isobutenyl-pyridone
CID 129694189
2-Propenamide, N,N-dimethyl-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-, (E)-
CID 5925971
1-Methyl-5-(4-methylamino-1-butenyl)-2(1h)-pyridone
CID 129878592
1,4-Dimethyl-6-(methylamino)pyridin-2-one
CID 12515508
5-[(E)-prop-1-enyl]-1H-pyridin-2-one
CID 20597917
Methanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium
CID 21030020

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one?
The IUPAC name of 5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one (CID 142086971) is 5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one.
What is the SMILES notation for 5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one?
The canonical SMILES for 5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one is C=C/C=C(\NC)n1cc(C)ccc1=O.
What is the InChIKey of 5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one?
The InChIKey is WGQBEYWATWHWND-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-5-10(12-3)13-8-9(2)6-7-11(13)14/h4-8,12H,1H2,2-3H3/b10-5+.
What are the key properties of 5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one?
5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one is sourced from PubChem (CID 142086971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).