3-(2-aminopropoxy)-1-propan-2-ylpyridin-4-one

C11H18N2O2 — CID 84677857

IUPAC3-(2-aminopropoxy)-1-propan-2-ylpyridin-4-one
SMILESCC(N)COc1cn(C(C)C)ccc1=O
InChIInChI=1S/C11H18N2O2/c1-8(2)13-5-4-10(14)11(6-13)15-7-9(3)12/h4-6,8-9H,7,12H2,1-3H3
InChIKeyLYSZTZOIMWFQHN-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.16
Rot. Bonds4

About 3-(2-aminopropoxy)-1-propan-2-ylpyridin-4-one

3-(2-aminopropoxy)-1-propan-2-ylpyridin-4-one (PubChem CID 84677857) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(2-aminopropoxy)-1-propan-2-ylpyridin-4-one.

Molecular Properties

Compound Name3-(2-aminopropoxy)-1-propan-2-ylpyridin-4-one
PubChem CID84677857
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(2-aminopropoxy)-1-propan-2-ylpyridin-4-one
SMILESCC(N)COc1cn(C(C)C)ccc1=O
InChIInChI=1S/C11H18N2O2/c1-8(2)13-5-4-10(14)11(6-13)15-7-9(3)12/h4-6,8-9H,7,12H2,1-3H3
InChIKeyLYSZTZOIMWFQHN-UHFFFAOYSA-N
XLogP1.16
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropoxy)-1-propan-2-ylpyridin-4-one?
The IUPAC name of 3-(2-aminopropoxy)-1-propan-2-ylpyridin-4-one (CID 84677857) is 3-(2-aminopropoxy)-1-propan-2-ylpyridin-4-one.
What is the SMILES notation for 3-(2-aminopropoxy)-1-propan-2-ylpyridin-4-one?
The canonical SMILES for 3-(2-aminopropoxy)-1-propan-2-ylpyridin-4-one is CC(N)COc1cn(C(C)C)ccc1=O.
What is the InChIKey of 3-(2-aminopropoxy)-1-propan-2-ylpyridin-4-one?
The InChIKey is LYSZTZOIMWFQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)13-5-4-10(14)11(6-13)15-7-9(3)12/h4-6,8-9H,7,12H2,1-3H3.
What are the key properties of 3-(2-aminopropoxy)-1-propan-2-ylpyridin-4-one?
3-(2-aminopropoxy)-1-propan-2-ylpyridin-4-one has a molecular weight of 210.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropoxy)-1-propan-2-ylpyridin-4-one is sourced from PubChem (CID 84677857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).