1-(azetidin-3-yl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid

C9H13F3N2O3 — CID 86811379

IUPAC1-(azetidin-3-yl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCCN1C1CNC1
InChIInChI=1S/C7H12N2O.C2HF3O2/c10-7-2-1-3-9(7)6-4-8-5-6;3-2(4,5)1(6)7/h6,8H,1-5H2;(H,6,7)
InChIKeyAXFLEQWGWVHAQX-UHFFFAOYSA-N
MW254.21 g/mol
LogP0.21
Rot. Bonds1

About 1-(azetidin-3-yl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid

1-(azetidin-3-yl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 86811379) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 1-(azetidin-3-yl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(azetidin-3-yl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
PubChem CID86811379
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name1-(azetidin-3-yl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCCN1C1CNC1
InChIInChI=1S/C7H12N2O.C2HF3O2/c10-7-2-1-3-9(7)6-4-8-5-6;3-2(4,5)1(6)7/h6,8H,1-5H2;(H,6,7)
InChIKeyAXFLEQWGWVHAQX-UHFFFAOYSA-N
XLogP0.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(azetidin-3-yl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid (CID 86811379) is 1-(azetidin-3-yl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(azetidin-3-yl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(azetidin-3-yl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CCCN1C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is AXFLEQWGWVHAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C2HF3O2/c10-7-2-1-3-9(7)6-4-8-5-6;3-2(4,5)1(6)7/h6,8H,1-5H2;(H,6,7).
What are the key properties of 1-(azetidin-3-yl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
1-(azetidin-3-yl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 254.21 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86811379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).