4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one

C11H13FN2O — CID 83128324

IUPAC4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one
SMILESCC1NC(=O)CC1(C)c1ccc(F)cn1
InChIInChI=1S/C11H13FN2O/c1-7-11(2,5-10(15)14-7)9-4-3-8(12)6-13-9/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyFTXVXXAXSVPLAJ-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.39
Rot. Bonds1

About 4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one

4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one (PubChem CID 83128324) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one
PubChem CID83128324
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one
SMILESCC1NC(=O)CC1(C)c1ccc(F)cn1
InChIInChI=1S/C11H13FN2O/c1-7-11(2,5-10(15)14-7)9-4-3-8(12)6-13-9/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyFTXVXXAXSVPLAJ-UHFFFAOYSA-N
XLogP1.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cotinine
CID 854019
Disopyramide
CID 3114
(+-)-Cotinine
CID 408
Norcotinine
CID 413
Ximelegatran
CID 448042
Mono-N-dealkyldisopyramide
CID 107858
Vamicamide
CID 65967
alpha-(2-(Bis(1-methylethyl)amino)ethyl)-alpha-(2-methylpropyl)-2-pyridineacetamide
CID 65847
cotinine N-oxide
CID 9815514
Disopyramide, (R)-
CID 156294
Demethylcotinine
CID 92223
R-(+)-Cotinine
CID 21907

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one?
The IUPAC name of 4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one (CID 83128324) is 4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one is CC1NC(=O)CC1(C)c1ccc(F)cn1.
What is the InChIKey of 4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one?
The InChIKey is FTXVXXAXSVPLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-7-11(2,5-10(15)14-7)9-4-3-8(12)6-13-9/h3-4,6-7H,5H2,1-2H3,(H,14,15).
What are the key properties of 4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one?
4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one has a molecular weight of 208.24 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 83128324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).