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

C13H20N2O2 — CID 153345183

IUPAC6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one;propane
SMILESC/C=N/c1ccc(=O)n(C)c1C(C)=O.CCC
InChIInChI=1S/C10H12N2O2.C3H8/c1-4-11-8-5-6-9(14)12(3)10(8)7(2)13;1-3-2/h4-6H,1-3H3;3H2,1-2H3/b11-4+;
InChIKeyJRLAYGHIISAGGP-SODSUQDMSA-N
MW236.31 g/mol
LogP2.73
Rot. Bonds2

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

6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one;propane (PubChem CID 153345183) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one;propane.

Molecular Properties

Compound Name6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one;propane
PubChem CID153345183
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one;propane
SMILESC/C=N/c1ccc(=O)n(C)c1C(C)=O.CCC
InChIInChI=1S/C10H12N2O2.C3H8/c1-4-11-8-5-6-9(14)12(3)10(8)7(2)13;1-3-2/h4-6H,1-3H3;3H2,1-2H3/b11-4+;
InChIKeyJRLAYGHIISAGGP-SODSUQDMSA-N
XLogP2.73
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.73
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

Ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one
CID 145394193
N,N-diethyl-2-(6-oxocyclohexa-1,3-dien-1-yl)iminoacetamide
CID 121011595
6-Acetyl-5-(ethylideneamino)-1-methylpyridin-2-one
CID 153345184

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one;propane?
The IUPAC name of 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one;propane (CID 153345183) is 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one;propane.
What is the SMILES notation for 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one;propane?
The canonical SMILES for 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one;propane is C/C=N/c1ccc(=O)n(C)c1C(C)=O.CCC.
What is the InChIKey of 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one;propane?
The InChIKey is JRLAYGHIISAGGP-SODSUQDMSA-N. The full InChI is InChI=1S/C10H12N2O2.C3H8/c1-4-11-8-5-6-9(14)12(3)10(8)7(2)13;1-3-2/h4-6H,1-3H3;3H2,1-2H3/b11-4+;.
What are the key properties of 6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one;propane?
6-acetyl-5-(ethylideneamino)-1-methylpyridin-2-one;propane has a molecular weight of 236.31 g/mol, XLogP of 2.73, 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;propane is sourced from PubChem (CID 153345183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).