1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one

C11H15F3N2O — CID 81319024

IUPAC1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one
SMILESCC(N)CCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C11H15F3N2O/c1-8(15)4-3-7-16-9(11(12,13)14)5-2-6-10(16)17/h2,5-6,8H,3-4,7,15H2,1H3
InChIKeyVZZHQSJCPSHMPR-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.99
Rot. Bonds4

About 1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one

1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319024) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319024
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one
SMILESCC(N)CCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C11H15F3N2O/c1-8(15)4-3-7-16-9(11(12,13)14)5-2-6-10(16)17/h2,5-6,8H,3-4,7,15H2,1H3
InChIKeyVZZHQSJCPSHMPR-UHFFFAOYSA-N
XLogP1.99
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one (CID 81319024) is 1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one is CC(N)CCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is VZZHQSJCPSHMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-8(15)4-3-7-16-9(11(12,13)14)5-2-6-10(16)17/h2,5-6,8H,3-4,7,15H2,1H3.
What are the key properties of 1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one?
1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 248.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopentyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).