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

C10H13F3N2O3 — CID 55179168

IUPAC4-(3-hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CC(O)C2)CN1CC(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c11-10(12,13)5-15-2-6(1-8(15)17)9(18)14-3-7(16)4-14/h6-7,16H,1-5H2
InChIKeyTZQOKYSUQNWPHX-UHFFFAOYSA-N
MW266.22 g/mol
LogP-0.40
Rot. Bonds2

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

4-(3-hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 55179168) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 4-(3-hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID55179168
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name4-(3-hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CC(O)C2)CN1CC(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c11-10(12,13)5-15-2-6(1-8(15)17)9(18)14-3-7(16)4-14/h6-7,16H,1-5H2
InChIKeyTZQOKYSUQNWPHX-UHFFFAOYSA-N
XLogP-0.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 4-(3-hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 55179168) is 4-(3-hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CC(O)C2)CN1CC(F)(F)F.
What is the InChIKey of 4-(3-hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is TZQOKYSUQNWPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c11-10(12,13)5-15-2-6(1-8(15)17)9(18)14-3-7(16)4-14/h6-7,16H,1-5H2.
What are the key properties of 4-(3-hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
4-(3-hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 266.22 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 55179168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).