2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide

C8H11FN2O2 — CID 128311929

IUPAC2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)N1CCC=C(C1)F
InChIInChI=1S/C8H11FN2O2/c1-10-7(12)8(13)11-4-2-3-6(9)5-11/h3H,2,4-5H2,1H3,(H,10,12)
InChIKeyFFOCYFOUFIEXMR-UHFFFAOYSA-N
MW186.18 g/mol
LogP-0.10
Rot. Bonds

About 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide

2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide (PubChem CID 128311929) has the molecular formula C8H11FN2O2 and a molecular weight of 186.18 g/mol. Its IUPAC name is 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide
PubChem CID128311929
Molecular FormulaC8H11FN2O2
Molecular Weight186.18 g/mol
Exact Mass186.08
IUPAC Name2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)N1CCC=C(C1)F
InChIInChI=1S/C8H11FN2O2/c1-10-7(12)8(13)11-4-2-3-6(9)5-11/h3H,2,4-5H2,1H3,(H,10,12)
InChIKeyFFOCYFOUFIEXMR-UHFFFAOYSA-N
XLogP-0.10
TPSA49.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity263

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide?
The IUPAC name of 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide (CID 128311929) is 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide is CNC(=O)C(=O)N1CCC=C(C1)F.
What is the InChIKey of 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide?
The InChIKey is FFOCYFOUFIEXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-10-7(12)8(13)11-4-2-3-6(9)5-11/h3H,2,4-5H2,1H3,(H,10,12).
What are the key properties of 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide?
2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide has a molecular weight of 186.18 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 128311929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).