3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid

C7H9F3N2O4 — CID 54595575

IUPAC3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid
SMILESCN1C(=O)CC(N)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H8N2O2.C2HF3O2/c1-7-4(8)2-3(6)5(7)9;3-2(4,5)1(6)7/h3H,2,6H2,1H3;(H,6,7)
InChIKeyJUKMTWYKKCAFRZ-UHFFFAOYSA-N
MW242.15 g/mol
LogP-0.66
Rot. Bonds

About 3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid

3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid (PubChem CID 54595575) has the molecular formula C7H9F3N2O4 and a molecular weight of 242.15 g/mol. Its IUPAC name is 3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid
PubChem CID54595575
Molecular FormulaC7H9F3N2O4
Molecular Weight242.15 g/mol
Exact Mass242.05
IUPAC Name3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid
SMILESCN1C(=O)CC(N)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H8N2O2.C2HF3O2/c1-7-4(8)2-3(6)5(7)9;3-2(4,5)1(6)7/h3H,2,6H2,1H3;(H,6,7)
InChIKeyJUKMTWYKKCAFRZ-UHFFFAOYSA-N
XLogP-0.66
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid (CID 54595575) is 3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid is CN1C(=O)CC(N)C1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid?
The InChIKey is JUKMTWYKKCAFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2.C2HF3O2/c1-7-4(8)2-3(6)5(7)9;3-2(4,5)1(6)7/h3H,2,6H2,1H3;(H,6,7).
What are the key properties of 3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid?
3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid has a molecular weight of 242.15 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 54595575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).