4-(3-hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C11H15F3N2O3 — CID 62918613

IUPAC4-(3-hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC(O)C2)CN1CC(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)6-16-4-7(3-9(16)18)10(19)15-2-1-8(17)5-15/h7-8,17H,1-6H2
InChIKeyCEZFSVQVXLFUHK-UHFFFAOYSA-N
MW280.25 g/mol
LogP-0.01
Rot. Bonds2

About 4-(3-hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

4-(3-hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 62918613) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-(3-hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID62918613
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name4-(3-hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC(O)C2)CN1CC(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)6-16-4-7(3-9(16)18)10(19)15-2-1-8(17)5-15/h7-8,17H,1-6H2
InChIKeyCEZFSVQVXLFUHK-UHFFFAOYSA-N
XLogP-0.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 4-(3-hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 62918613) is 4-(3-hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCC(O)C2)CN1CC(F)(F)F.
What is the InChIKey of 4-(3-hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is CEZFSVQVXLFUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)6-16-4-7(3-9(16)18)10(19)15-2-1-8(17)5-15/h7-8,17H,1-6H2.
What are the key properties of 4-(3-hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
4-(3-hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 280.25 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 62918613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).