1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one

C7H8F3NO2 — CID 11095529

IUPAC1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one
SMILESCN1CCC(C(=O)C(F)(F)F)C1=O
InChIInChI=1S/C7H8F3NO2/c1-11-3-2-4(6(11)13)5(12)7(8,9)10/h4H,2-3H2,1H3
InChIKeyIJJGBTHCUXMQEU-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.60
Rot. Bonds1

About 1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one

1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one (PubChem CID 11095529) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one
PubChem CID11095529
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one
SMILESCN1CCC(C(=O)C(F)(F)F)C1=O
InChIInChI=1S/C7H8F3NO2/c1-11-3-2-4(6(11)13)5(12)7(8,9)10/h4H,2-3H2,1H3
InChIKeyIJJGBTHCUXMQEU-UHFFFAOYSA-N
XLogP0.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Acetyl-1-methylpyrrolidine-2,4-dione
CID 15088154
Tert-butyl 2-oxo-3-(2,2,2-trifluoroacetyl)pyrrolidine-1-carboxylate
CID 11818354
3-Trifluoroacetyl-2-pyrrolidone
CID 129811693
3-Acetyl-1-methylpyrrolidin-2-one
CID 15084248
1-Ethyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one
CID 13602063
2,2,2-Trifluoro-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanone
CID 49760527
1-[(4S)-4-(fluoromethyl)-2-oxopyrrolidin-1-yl]pentane-2,4-dione
CID 58084187
CID 59589259
CID 59589259
4-(2,2-Difluoroethyl)-1-methylpyrrolidin-2-one
CID 67253858
3-(2-Fluoroethyl)-1-methylpyrrolidin-2-one
CID 67254194
4-(2,2-Difluoroethyl)-1-ethylpyrrolidin-2-one
CID 67255398
3-(2,2-Difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one
CID 67255557

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one (CID 11095529) is 1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one is CN1CCC(C(=O)C(F)(F)F)C1=O.
What is the InChIKey of 1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one?
The InChIKey is IJJGBTHCUXMQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-11-3-2-4(6(11)13)5(12)7(8,9)10/h4H,2-3H2,1H3.
What are the key properties of 1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one?
1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one has a molecular weight of 195.14 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one is sourced from PubChem (CID 11095529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).