3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one

C11H15FN2O — CID 155930388

IUPAC3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one
SMILESCC(F)CC(C)/N=C/c1ccc[nH]c1=O
InChIInChI=1S/C11H15FN2O/c1-8(12)6-9(2)14-7-10-4-3-5-13-11(10)15/h3-5,7-9H,6H2,1-2H3,(H,13,15)/b14-7+
InChIKeyBIIFICQMNPLHCA-VGOFMYFVSA-N
MW210.25 g/mol
LogP1.93
Rot. Bonds4

About 3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one

3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one (PubChem CID 155930388) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one
PubChem CID155930388
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one
SMILESCC(F)CC(C)/N=C/c1ccc[nH]c1=O
InChIInChI=1S/C11H15FN2O/c1-8(12)6-9(2)14-7-10-4-3-5-13-11(10)15/h3-5,7-9H,6H2,1-2H3,(H,13,15)/b14-7+
InChIKeyBIIFICQMNPLHCA-VGOFMYFVSA-N
XLogP1.93
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one (CID 155930388) is 3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one is CC(F)CC(C)/N=C/c1ccc[nH]c1=O.
What is the InChIKey of 3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one?
The InChIKey is BIIFICQMNPLHCA-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8(12)6-9(2)14-7-10-4-3-5-13-11(10)15/h3-5,7-9H,6H2,1-2H3,(H,13,15)/b14-7+.
What are the key properties of 3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one?
3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one has a molecular weight of 210.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoropentan-2-yliminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 155930388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).