3-pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid

C10H15F3N2O3 — CID 19000556

IUPAC3-pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1NCCC1N1CCCC1
InChIInChI=1S/C8H14N2O.C2HF3O2/c11-8-7(3-4-9-8)10-5-1-2-6-10;3-2(4,5)1(6)7/h7H,1-6H2,(H,9,11);(H,6,7)
InChIKeyWSUIPTPTPWQJPA-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.60
Rot. Bonds1

About 3-pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid

3-pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 19000556) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
PubChem CID19000556
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name3-pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1NCCC1N1CCCC1
InChIInChI=1S/C8H14N2O.C2HF3O2/c11-8-7(3-4-9-8)10-5-1-2-6-10;3-2(4,5)1(6)7/h7H,1-6H2,(H,9,11);(H,6,7)
InChIKeyWSUIPTPTPWQJPA-UHFFFAOYSA-N
XLogP0.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid (CID 19000556) is 3-pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1NCCC1N1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is WSUIPTPTPWQJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.C2HF3O2/c11-8-7(3-4-9-8)10-5-1-2-6-10;3-2(4,5)1(6)7/h7H,1-6H2,(H,9,11);(H,6,7).
What are the key properties of 3-pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid?
3-pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 268.23 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 19000556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).