3-(2-aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one

C11H16N2O2 — CID 84676152

IUPAC3-(2-aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one
SMILESCc1c(OCCN)c(=O)ccn1C1CC1
InChIInChI=1S/C11H16N2O2/c1-8-11(15-7-5-12)10(14)4-6-13(8)9-2-3-9/h4,6,9H,2-3,5,7,12H2,1H3
InChIKeyUTGSIKHCZKVYLD-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.83
Rot. Bonds4

About 3-(2-aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one

3-(2-aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one (PubChem CID 84676152) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one.

Molecular Properties

Compound Name3-(2-aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one
PubChem CID84676152
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(2-aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one
SMILESCc1c(OCCN)c(=O)ccn1C1CC1
InChIInChI=1S/C11H16N2O2/c1-8-11(15-7-5-12)10(14)4-6-13(8)9-2-3-9/h4,6,9H,2-3,5,7,12H2,1H3
InChIKeyUTGSIKHCZKVYLD-UHFFFAOYSA-N
XLogP0.83
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one?
The IUPAC name of 3-(2-aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one (CID 84676152) is 3-(2-aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one.
What is the SMILES notation for 3-(2-aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one?
The canonical SMILES for 3-(2-aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one is Cc1c(OCCN)c(=O)ccn1C1CC1.
What is the InChIKey of 3-(2-aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one?
The InChIKey is UTGSIKHCZKVYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-11(15-7-5-12)10(14)4-6-13(8)9-2-3-9/h4,6,9H,2-3,5,7,12H2,1H3.
What are the key properties of 3-(2-aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one?
3-(2-aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one has a molecular weight of 208.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-1-cyclopropyl-2-methylpyridin-4-one is sourced from PubChem (CID 84676152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).