3-amino-1-(oxan-2-ylmethyl)pyridin-4-one

C11H16N2O2 — CID 82990845

IUPAC3-amino-1-(oxan-2-ylmethyl)pyridin-4-one
SMILESNc1cn(CC2CCCCO2)ccc1=O
InChIInChI=1S/C11H16N2O2/c12-10-8-13(5-4-11(10)14)7-9-3-1-2-6-15-9/h4-5,8-9H,1-3,6-7,12H2
InChIKeyOYYFKGZYZVGNPI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.00
Rot. Bonds2

About 3-amino-1-(oxan-2-ylmethyl)pyridin-4-one

3-amino-1-(oxan-2-ylmethyl)pyridin-4-one (PubChem CID 82990845) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-amino-1-(oxan-2-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(oxan-2-ylmethyl)pyridin-4-one
PubChem CID82990845
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-amino-1-(oxan-2-ylmethyl)pyridin-4-one
SMILESNc1cn(CC2CCCCO2)ccc1=O
InChIInChI=1S/C11H16N2O2/c12-10-8-13(5-4-11(10)14)7-9-3-1-2-6-15-9/h4-5,8-9H,1-3,6-7,12H2
InChIKeyOYYFKGZYZVGNPI-UHFFFAOYSA-N
XLogP1.00
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(oxan-2-ylmethyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(oxan-2-ylmethyl)pyridin-4-one (CID 82990845) is 3-amino-1-(oxan-2-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(oxan-2-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(oxan-2-ylmethyl)pyridin-4-one is Nc1cn(CC2CCCCO2)ccc1=O.
What is the InChIKey of 3-amino-1-(oxan-2-ylmethyl)pyridin-4-one?
The InChIKey is OYYFKGZYZVGNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-10-8-13(5-4-11(10)14)7-9-3-1-2-6-15-9/h4-5,8-9H,1-3,6-7,12H2.
What are the key properties of 3-amino-1-(oxan-2-ylmethyl)pyridin-4-one?
3-amino-1-(oxan-2-ylmethyl)pyridin-4-one has a molecular weight of 208.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(oxan-2-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82990845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).