5-fluoro-1-(2-methylpropanoyl)pyrrolidin-2-one

C8H12FNO2 — CID 45122964

IUPAC5-fluoro-1-(2-methylpropanoyl)pyrrolidin-2-one
SMILESCC(C)C(=O)N1C(=O)CCC1F
InChIInChI=1S/C8H12FNO2/c1-5(2)8(12)10-6(9)3-4-7(10)11/h5-6H,3-4H2,1-2H3
InChIKeyKQUHGOUSVAPNRH-UHFFFAOYSA-N
MW173.19 g/mol
LogP1.09
Rot. Bonds1

About 5-fluoro-1-(2-methylpropanoyl)pyrrolidin-2-one

5-fluoro-1-(2-methylpropanoyl)pyrrolidin-2-one (PubChem CID 45122964) has the molecular formula C8H12FNO2 and a molecular weight of 173.19 g/mol. Its IUPAC name is 5-fluoro-1-(2-methylpropanoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-fluoro-1-(2-methylpropanoyl)pyrrolidin-2-one
PubChem CID45122964
Molecular FormulaC8H12FNO2
Molecular Weight173.19 g/mol
Exact Mass173.09
IUPAC Name5-fluoro-1-(2-methylpropanoyl)pyrrolidin-2-one
SMILESCC(C)C(=O)N1C(=O)CCC1F
InChIInChI=1S/C8H12FNO2/c1-5(2)8(12)10-6(9)3-4-7(10)11/h5-6H,3-4H2,1-2H3
InChIKeyKQUHGOUSVAPNRH-UHFFFAOYSA-N
XLogP1.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-5-fluoropyrrolidin-2-one
CID 45085880
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 100963844
1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one
CID 54261478
methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate
CID 91397358
methyl (2S)-1-(2-bromopropanoyl)-5-oxopyrrolidine-2-carboxylate
CID 101265890
6-fluoro-1-[(1S)-2,3,4-trimethylcyclobut-2-ene-1-carbonyl]piperidin-2-one
CID 88869523
CID 89146118
CID 89146118
1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one
CID 89177757
(5S)-1-(2-bromopropanoyl)-5-phenylpyrrolidin-2-one
CID 11289447
2-ethyl-5-oxopyrrolidine-1-carboxylic acid
CID 170340373
1-(2-methylpropanoyl)azepan-2-one
CID 86179400
(5R)-1-hydroxy-5-methylpyrrolidin-2-one
CID 56612622

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methylpropanoyl)pyrrolidin-2-one?
The IUPAC name of 5-fluoro-1-(2-methylpropanoyl)pyrrolidin-2-one (CID 45122964) is 5-fluoro-1-(2-methylpropanoyl)pyrrolidin-2-one.
What is the SMILES notation for 5-fluoro-1-(2-methylpropanoyl)pyrrolidin-2-one?
The canonical SMILES for 5-fluoro-1-(2-methylpropanoyl)pyrrolidin-2-one is CC(C)C(=O)N1C(=O)CCC1F.
What is the InChIKey of 5-fluoro-1-(2-methylpropanoyl)pyrrolidin-2-one?
The InChIKey is KQUHGOUSVAPNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO2/c1-5(2)8(12)10-6(9)3-4-7(10)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-1-(2-methylpropanoyl)pyrrolidin-2-one?
5-fluoro-1-(2-methylpropanoyl)pyrrolidin-2-one has a molecular weight of 173.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methylpropanoyl)pyrrolidin-2-one is sourced from PubChem (CID 45122964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).