6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one

C10H12N2O2 — CID 153345184

IUPAC6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one
SMILESC/C=N/c1ccc(=O)n(C)c1C(C)=O
InChIInChI=1S/C10H12N2O2/c1-4-11-8-5-6-9(14)12(3)10(8)7(2)13/h4-6H,1-3H3/b11-4+
InChIKeyMOZVGELIGOGCME-NYYWCZLTSA-N
MW192.22 g/mol
LogP1.31
Rot. Bonds2

About 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one

6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one (PubChem CID 153345184) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one
PubChem CID153345184
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one
SMILESC/C=N/c1ccc(=O)n(C)c1C(C)=O
InChIInChI=1S/C10H12N2O2/c1-4-11-8-5-6-9(14)12(3)10(8)7(2)13/h4-6H,1-3H3/b11-4+
InChIKeyMOZVGELIGOGCME-NYYWCZLTSA-N
XLogP1.31
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-8H-quinoxaline-2,7-dione
CID 141675969
1-methyl-2H-quinoxaline-5,8-dione
CID 152173452
6-Acetyl-5-(ethylideneamino)-1-methylpyridin-2-one;propane
CID 153345183

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one?
The IUPAC name of 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one (CID 153345184) is 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one.
What is the SMILES notation for 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one?
The canonical SMILES for 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one is C/C=N/c1ccc(=O)n(C)c1C(C)=O.
What is the InChIKey of 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one?
The InChIKey is MOZVGELIGOGCME-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-4-11-8-5-6-9(14)12(3)10(8)7(2)13/h4-6H,1-3H3/b11-4+.
What are the key properties of 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one?
6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one has a molecular weight of 192.22 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one is sourced from PubChem (CID 153345184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).