3-fluoro-1,5-dimethylpyrrolidin-2-one

C6H10FNO — CID 118331524

IUPAC3-fluoro-1,5-dimethylpyrrolidin-2-one
SMILESCC1CC(F)C(=O)N1C
InChIInChI=1S/C6H10FNO/c1-4-3-5(7)6(9)8(4)2/h4-5H,3H2,1-2H3
InChIKeyFUGHVBKUPUAWRU-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.58
Rot. Bonds

About 3-fluoro-1,5-dimethylpyrrolidin-2-one

3-fluoro-1,5-dimethylpyrrolidin-2-one (PubChem CID 118331524) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 3-fluoro-1,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-fluoro-1,5-dimethylpyrrolidin-2-one
PubChem CID118331524
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name3-fluoro-1,5-dimethylpyrrolidin-2-one
SMILESCC1CC(F)C(=O)N1C
InChIInChI=1S/C6H10FNO/c1-4-3-5(7)6(9)8(4)2/h4-5H,3H2,1-2H3
InChIKeyFUGHVBKUPUAWRU-UHFFFAOYSA-N
XLogP0.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1R)-1-(ethylamino)ethyl]-1,5-dimethylpyrrolidin-2-one
CID 54453682
3-acetyl-1,6-dimethyl-4-(methylamino)piperidin-2-one
CID 3020214
N-[(1R)-1-(1,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]acetamide
CID 54376263
methyl (2S,4S)-4-fluoro-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylate
CID 122675990
1-fluoro-3,6-dimethylpiperidin-2-one
CID 152618779
1-hydroxy-3,4-dimethylimidazolidin-2-one
CID 154468014
1,5-ditert-butyl-3-fluoropyrrolidin-2-one
CID 118330057
4,5-difluoro-1,3-dimethylimidazolidin-2-one
CID 150532585
2-(aminomethyl)-4,5-dimethylmorpholin-3-one
CID 171532110
(1S,4R,6S,7R)-6-bromo-7-fluoro-2-methyl-2-azabicyclo[2.2.1]heptan-3-one
CID 71747237
(3S,4R)-1,3,4-trimethylazetidin-2-one
CID 59947134
4-fluoro-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 166668755

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,5-dimethylpyrrolidin-2-one?
The IUPAC name of 3-fluoro-1,5-dimethylpyrrolidin-2-one (CID 118331524) is 3-fluoro-1,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3-fluoro-1,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 3-fluoro-1,5-dimethylpyrrolidin-2-one is CC1CC(F)C(=O)N1C.
What is the InChIKey of 3-fluoro-1,5-dimethylpyrrolidin-2-one?
The InChIKey is FUGHVBKUPUAWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-4-3-5(7)6(9)8(4)2/h4-5H,3H2,1-2H3.
What are the key properties of 3-fluoro-1,5-dimethylpyrrolidin-2-one?
3-fluoro-1,5-dimethylpyrrolidin-2-one has a molecular weight of 131.15 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 118331524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).