2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C9H13F3N2O3 — CID 103726264

IUPAC2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CN1CCCC1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)6(15)4-13-7(16)5-14-3-1-2-8(14)17/h6,15H,1-5H2,(H,13,16)
InChIKeyRWVASKSFVMYOKW-UHFFFAOYSA-N
MW254.21 g/mol
LogP-0.35
Rot. Bonds4

About 2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103726264) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103726264
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CN1CCCC1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)6(15)4-13-7(16)5-14-3-1-2-8(14)17/h6,15H,1-5H2,(H,13,16)
InChIKeyRWVASKSFVMYOKW-UHFFFAOYSA-N
XLogP-0.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 103769873
2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120811988
2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811989
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 3050861
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103730623
N-[2-(dimethylamino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride
CID 21327798
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111452400
N-(4-hydroxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 106843150
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 122132393
2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81343154
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 103876710

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103726264) is 2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(CN1CCCC1=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is RWVASKSFVMYOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)6(15)4-13-7(16)5-14-3-1-2-8(14)17/h6,15H,1-5H2,(H,13,16).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 254.21 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103726264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).