3-(2,2-dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one

C10H16FNO2 — CID 102251857

IUPAC3-(2,2-dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one
SMILESCN1CC(F)C(C(=O)C(C)(C)C)C1=O
InChIInChI=1S/C10H16FNO2/c1-10(2,3)8(13)7-6(11)5-12(4)9(7)14/h6-7H,5H2,1-4H3
InChIKeyNOCHTTMBWCOERZ-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.03
Rot. Bonds1

About 3-(2,2-dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one

3-(2,2-dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one (PubChem CID 102251857) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one
PubChem CID102251857
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name3-(2,2-dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one
SMILESCN1CC(F)C(C(=O)C(C)(C)C)C1=O
InChIInChI=1S/C10H16FNO2/c1-10(2,3)8(13)7-6(11)5-12(4)9(7)14/h6-7H,5H2,1-4H3
InChIKeyNOCHTTMBWCOERZ-UHFFFAOYSA-N
XLogP1.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one (CID 102251857) is 3-(2,2-dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one is CN1CC(F)C(C(=O)C(C)(C)C)C1=O.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one?
The InChIKey is NOCHTTMBWCOERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-10(2,3)8(13)7-6(11)5-12(4)9(7)14/h6-7H,5H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one?
3-(2,2-dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one has a molecular weight of 201.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-4-fluoro-1-methylpyrrolidin-2-one is sourced from PubChem (CID 102251857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).