2-(2-aminoethyl)-4H-pyridin-3-one

C7H10N2O — CID 69260747

IUPAC2-(2-aminoethyl)-4H-pyridin-3-one
SMILESNCCC1=NC=CCC1=O
InChIInChI=1S/C7H10N2O/c8-4-3-6-7(10)2-1-5-9-6/h1,5H,2-4,8H2
InChIKeyGGKWQBGXUVAJMG-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.26
Rot. Bonds2

About 2-(2-aminoethyl)-4H-pyridin-3-one

2-(2-aminoethyl)-4H-pyridin-3-one (PubChem CID 69260747) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4H-pyridin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4H-pyridin-3-one
PubChem CID69260747
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-(2-aminoethyl)-4H-pyridin-3-one
SMILESNCCC1=NC=CCC1=O
InChIInChI=1S/C7H10N2O/c8-4-3-6-7(10)2-1-5-9-6/h1,5H,2-4,8H2
InChIKeyGGKWQBGXUVAJMG-UHFFFAOYSA-N
XLogP0.26
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4H-pyridin-3-one?
The IUPAC name of 2-(2-aminoethyl)-4H-pyridin-3-one (CID 69260747) is 2-(2-aminoethyl)-4H-pyridin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-4H-pyridin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-4H-pyridin-3-one is NCCC1=NC=CCC1=O.
What is the InChIKey of 2-(2-aminoethyl)-4H-pyridin-3-one?
The InChIKey is GGKWQBGXUVAJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c8-4-3-6-7(10)2-1-5-9-6/h1,5H,2-4,8H2.
What are the key properties of 2-(2-aminoethyl)-4H-pyridin-3-one?
2-(2-aminoethyl)-4H-pyridin-3-one has a molecular weight of 138.17 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4H-pyridin-3-one is sourced from PubChem (CID 69260747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).