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

C12H17F3N2O3 — CID 103726986

IUPAC4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC1(O)CCN(C(=O)C2CC(=O)N(CC(F)(F)F)C2)C1
InChIInChI=1S/C12H17F3N2O3/c1-11(20)2-3-16(6-11)10(19)8-4-9(18)17(5-8)7-12(13,14)15/h8,20H,2-7H2,1H3
InChIKeyXODUOVIBGPXKPE-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.38
Rot. Bonds2

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

4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 103726986) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID103726986
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC1(O)CCN(C(=O)C2CC(=O)N(CC(F)(F)F)C2)C1
InChIInChI=1S/C12H17F3N2O3/c1-11(20)2-3-16(6-11)10(19)8-4-9(18)17(5-8)7-12(13,14)15/h8,20H,2-7H2,1H3
InChIKeyXODUOVIBGPXKPE-UHFFFAOYSA-N
XLogP0.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 103726986) is 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CC1(O)CCN(C(=O)C2CC(=O)N(CC(F)(F)F)C2)C1.
What is the InChIKey of 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is XODUOVIBGPXKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c1-11(20)2-3-16(6-11)10(19)8-4-9(18)17(5-8)7-12(13,14)15/h8,20H,2-7H2,1H3.
What are the key properties of 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 294.27 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 103726986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).