1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one

C13H20N2O3 — CID 82143957

IUPAC1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one
SMILESC=C(C)COc1cccn(CCOCCN)c1=O
InChIInChI=1S/C13H20N2O3/c1-11(2)10-18-12-4-3-6-15(13(12)16)7-9-17-8-5-14/h3-4,6H,1,5,7-10,14H2,2H3
InChIKeyNYHHVAAHVGBHHJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.78
Rot. Bonds8

About 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one

1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one (PubChem CID 82143957) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one
PubChem CID82143957
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one
SMILESC=C(C)COc1cccn(CCOCCN)c1=O
InChIInChI=1S/C13H20N2O3/c1-11(2)10-18-12-4-3-6-15(13(12)16)7-9-17-8-5-14/h3-4,6H,1,5,7-10,14H2,2H3
InChIKeyNYHHVAAHVGBHHJ-UHFFFAOYSA-N
XLogP0.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151547
2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143309
1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
CID 82056281
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide
CID 82056289
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
CID 82056257
1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one
CID 82143334
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
1-(2-hydroxyethyl)-3-(3-hydroxypropoxy)pyridin-2-one
CID 82150744
2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid
CID 82152071
1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 82056283
2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide
CID 94758816
1-(4-aminobutyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 94745771

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one?
The IUPAC name of 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one (CID 82143957) is 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one is C=C(C)COc1cccn(CCOCCN)c1=O.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one?
The InChIKey is NYHHVAAHVGBHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-11(2)10-18-12-4-3-6-15(13(12)16)7-9-17-8-5-14/h3-4,6H,1,5,7-10,14H2,2H3.
What are the key properties of 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one?
1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one has a molecular weight of 252.31 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one is sourced from PubChem (CID 82143957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).