1,6-dimethyl-5-(methyliminomethyl)pyridin-2-one

C9H12N2O — CID 123207508

IUPAC1,6-dimethyl-5-(methyliminomethyl)pyridin-2-one
SMILESC/N=C/c1ccc(=O)n(C)c1C
InChIInChI=1S/C9H12N2O/c1-7-8(6-10-2)4-5-9(12)11(7)3/h4-6H,1-3H3/b10-6+
InChIKeyNTMXMOUXJRFYMF-UXBLZVDNSA-N
MW164.21 g/mol
LogP0.74
Rot. Bonds1

About 1,6-dimethyl-5-(methyliminomethyl)pyridin-2-one

1,6-dimethyl-5-(methyliminomethyl)pyridin-2-one (PubChem CID 123207508) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1,6-dimethyl-5-(methyliminomethyl)pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-5-(methyliminomethyl)pyridin-2-one
PubChem CID123207508
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1,6-dimethyl-5-(methyliminomethyl)pyridin-2-one
SMILESC/N=C/c1ccc(=O)n(C)c1C
InChIInChI=1S/C9H12N2O/c1-7-8(6-10-2)4-5-9(12)11(7)3/h4-6H,1-3H3/b10-6+
InChIKeyNTMXMOUXJRFYMF-UXBLZVDNSA-N
XLogP0.74
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.74
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

(5Z)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one
CID 119081246
1-(5-Methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one
CID 67556864
3-(2,3-dihydropyridin-5-yl)-N,N-dimethylprop-2-enamide
CID 90845381
N,N-dimethyl-3-(3-methyl-2,3-dihydropyridin-5-yl)prop-2-enamide
CID 91432633
1-Ethyl-5,6-dimethylpyridin-2-one
CID 139989747
5-Ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one
CID 145293390
Ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one
CID 145394193
6-ethenyl-5-(methyliminomethyl)-1H-pyridin-2-one
CID 146238660
ethane;1-methyl-5H-1,6-naphthyridin-5-id-2-one;ruthenium(1+)
CID 170592021
5-(1-Methyl-2-pyridinylidene)pyridin-2-one
CID 173501836
5-(1-Methylpyrrolidin-2-ylidene)pyridin-2-one
CID 73129729
(5E)-5-(1-methylpyrrolidin-2-ylidene)pyridin-2-one
CID 129408327

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5-(methyliminomethyl)pyridin-2-one?
The IUPAC name of 1,6-dimethyl-5-(methyliminomethyl)pyridin-2-one (CID 123207508) is 1,6-dimethyl-5-(methyliminomethyl)pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-5-(methyliminomethyl)pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-5-(methyliminomethyl)pyridin-2-one is C/N=C/c1ccc(=O)n(C)c1C.
What is the InChIKey of 1,6-dimethyl-5-(methyliminomethyl)pyridin-2-one?
The InChIKey is NTMXMOUXJRFYMF-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-8(6-10-2)4-5-9(12)11(7)3/h4-6H,1-3H3/b10-6+.
What are the key properties of 1,6-dimethyl-5-(methyliminomethyl)pyridin-2-one?
1,6-dimethyl-5-(methyliminomethyl)pyridin-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5-(methyliminomethyl)pyridin-2-one is sourced from PubChem (CID 123207508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).