ethane;1-(2-iminoethyl)-4-methyl-5,6-dimethylidenepyridin-2-one

C12H18N2O — CID 143375753

IUPACethane;1-(2-iminoethyl)-4-methyl-5,6-dimethylidenepyridin-2-one
SMILESCC.[H]/N=C/Cn1c(=O)cc(C)c(=C)c1=C
InChIInChI=1S/C10H12N2O.C2H6/c1-7-6-10(13)12(5-4-11)9(3)8(7)2;1-2/h4,6,11H,2-3,5H2,1H3;1-2H3/b11-4+;
InChIKeyOWWRTPVZXDGHEK-SODSUQDMSA-N
MW206.29 g/mol
LogP0.65
Rot. Bonds2

About ethane;1-(2-iminoethyl)-4-methyl-5,6-dimethylidenepyridin-2-one

ethane;1-(2-iminoethyl)-4-methyl-5,6-dimethylidenepyridin-2-one (PubChem CID 143375753) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is ethane;1-(2-iminoethyl)-4-methyl-5,6-dimethylidenepyridin-2-one.

Molecular Properties

Compound Nameethane;1-(2-iminoethyl)-4-methyl-5,6-dimethylidenepyridin-2-one
PubChem CID143375753
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Nameethane;1-(2-iminoethyl)-4-methyl-5,6-dimethylidenepyridin-2-one
SMILESCC.[H]/N=C/Cn1c(=O)cc(C)c(=C)c1=C
InChIInChI=1S/C10H12N2O.C2H6/c1-7-6-10(13)12(5-4-11)9(3)8(7)2;1-2/h4,6,11H,2-3,5H2,1H3;1-2H3/b11-4+;
InChIKeyOWWRTPVZXDGHEK-SODSUQDMSA-N
XLogP0.65
TPSA45.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-iminoethyl)-4-methyl-5,6-dimethylidenepyridin-2-one?
The IUPAC name of ethane;1-(2-iminoethyl)-4-methyl-5,6-dimethylidenepyridin-2-one (CID 143375753) is ethane;1-(2-iminoethyl)-4-methyl-5,6-dimethylidenepyridin-2-one.
What is the SMILES notation for ethane;1-(2-iminoethyl)-4-methyl-5,6-dimethylidenepyridin-2-one?
The canonical SMILES for ethane;1-(2-iminoethyl)-4-methyl-5,6-dimethylidenepyridin-2-one is CC.[H]/N=C/Cn1c(=O)cc(C)c(=C)c1=C.
What is the InChIKey of ethane;1-(2-iminoethyl)-4-methyl-5,6-dimethylidenepyridin-2-one?
The InChIKey is OWWRTPVZXDGHEK-SODSUQDMSA-N. The full InChI is InChI=1S/C10H12N2O.C2H6/c1-7-6-10(13)12(5-4-11)9(3)8(7)2;1-2/h4,6,11H,2-3,5H2,1H3;1-2H3/b11-4+;.
What are the key properties of ethane;1-(2-iminoethyl)-4-methyl-5,6-dimethylidenepyridin-2-one?
ethane;1-(2-iminoethyl)-4-methyl-5,6-dimethylidenepyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-iminoethyl)-4-methyl-5,6-dimethylidenepyridin-2-one is sourced from PubChem (CID 143375753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).