1,6-dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one

C11H16N2O — CID 23391959

IUPAC1,6-dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one
SMILESC=Nc1cc(C(C)C)c(C)n(C)c1=O
InChIInChI=1S/C11H16N2O/c1-7(2)9-6-10(12-4)11(14)13(5)8(9)3/h6-7H,4H2,1-3,5H3
InChIKeyOOHRPFVWPOCESD-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.15
Rot. Bonds2

About 1,6-dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one

1,6-dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one (PubChem CID 23391959) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1,6-dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one
PubChem CID23391959
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1,6-dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one
SMILESC=Nc1cc(C(C)C)c(C)n(C)c1=O
InChIInChI=1S/C11H16N2O/c1-7(2)9-6-10(12-4)11(14)13(5)8(9)3/h6-7H,4H2,1-3,5H3
InChIKeyOOHRPFVWPOCESD-UHFFFAOYSA-N
XLogP2.15
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Isocyano-1,6-dimethyl-5-propan-2-ylpyridin-2-one
CID 23391951
1-Ethyl-3-isocyano-5,6-dimethylpyridin-2-one
CID 23587855
3-Amino-1,5,6-trimethylpyridin-2-one
CID 23587878
3-Isocyano-1,5,6-trimethylpyridin-2-one
CID 58757387
Ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one
CID 145416260
3-Isocyano-6-methyl-1,4-di(propan-2-yl)pyridin-2-one
CID 166505986
4-[(2Z,4E)-4-tert-butyl-2-(methylideneamino)hexa-2,4-dienoyl]-1-methylpiperazin-2-one
CID 171811352
(2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one;propane
CID 171811580
1-ethyl-5-(methylideneamino)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
CID 174246681
3-Amino-1-methyl-6-(2-methylpropyl)pyridin-2-one
CID 105439011
4-Ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one
CID 145416261
(2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 171811581

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one?
The IUPAC name of 1,6-dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one (CID 23391959) is 1,6-dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one?
The canonical SMILES for 1,6-dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one is C=Nc1cc(C(C)C)c(C)n(C)c1=O.
What is the InChIKey of 1,6-dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one?
The InChIKey is OOHRPFVWPOCESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)9-6-10(12-4)11(14)13(5)8(9)3/h6-7H,4H2,1-3,5H3.
What are the key properties of 1,6-dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one?
1,6-dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one is sourced from PubChem (CID 23391959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).