3-amino-1-(2,2-diethoxyethyl)pyridin-2-one

C11H18N2O3 — CID 138585467

IUPAC3-amino-1-(2,2-diethoxyethyl)pyridin-2-one
SMILESCCOC(Cn1cccc(N)c1=O)OCC
InChIInChI=1S/C11H18N2O3/c1-3-15-10(16-4-2)8-13-7-5-6-9(12)11(13)14/h5-7,10H,3-4,8,12H2,1-2H3
InChIKeyUYJJTAORYIUJKX-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.83
Rot. Bonds6

About 3-amino-1-(2,2-diethoxyethyl)pyridin-2-one

3-amino-1-(2,2-diethoxyethyl)pyridin-2-one (PubChem CID 138585467) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-amino-1-(2,2-diethoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(2,2-diethoxyethyl)pyridin-2-one
PubChem CID138585467
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-amino-1-(2,2-diethoxyethyl)pyridin-2-one
SMILESCCOC(Cn1cccc(N)c1=O)OCC
InChIInChI=1S/C11H18N2O3/c1-3-15-10(16-4-2)8-13-7-5-6-9(12)11(13)14/h5-7,10H,3-4,8,12H2,1-2H3
InChIKeyUYJJTAORYIUJKX-UHFFFAOYSA-N
XLogP0.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-diethoxyethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(2,2-diethoxyethyl)pyridin-2-one (CID 138585467) is 3-amino-1-(2,2-diethoxyethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(2,2-diethoxyethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(2,2-diethoxyethyl)pyridin-2-one is CCOC(Cn1cccc(N)c1=O)OCC.
What is the InChIKey of 3-amino-1-(2,2-diethoxyethyl)pyridin-2-one?
The InChIKey is UYJJTAORYIUJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-15-10(16-4-2)8-13-7-5-6-9(12)11(13)14/h5-7,10H,3-4,8,12H2,1-2H3.
What are the key properties of 3-amino-1-(2,2-diethoxyethyl)pyridin-2-one?
3-amino-1-(2,2-diethoxyethyl)pyridin-2-one has a molecular weight of 226.28 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-diethoxyethyl)pyridin-2-one is sourced from PubChem (CID 138585467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).