2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C9H14F3N3O2 — CID 113237119

IUPAC2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN1CCC(NCC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C9H14F3N3O2/c1-15-3-2-6(8(15)17)13-4-7(16)14-5-9(10,11)12/h6,13H,2-5H2,1H3,(H,14,16)
InChIKeyMRXNDKKCMFROAQ-UHFFFAOYSA-N
MW253.22 g/mol
LogP-0.51
Rot. Bonds4

About 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 113237119) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID113237119
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC Name2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN1CCC(NCC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C9H14F3N3O2/c1-15-3-2-6(8(15)17)13-4-7(16)14-5-9(10,11)12/h6,13H,2-5H2,1H3,(H,14,16)
InChIKeyMRXNDKKCMFROAQ-UHFFFAOYSA-N
XLogP-0.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanamide
CID 106275991
1-methyl-3-(2-methylidenebutylamino)pyrrolidin-2-one
CID 106256749
N-(2,6-dichlorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide
CID 106256841
methyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate
CID 106256600
3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 71975573
2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60976887
2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60647542
5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide
CID 106237309
2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60702700
4-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzoic acid
CID 106252963
2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 79357973
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106360968

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 113237119) is 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CN1CCC(NCC(=O)NCC(F)(F)F)C1=O.
What is the InChIKey of 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MRXNDKKCMFROAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c1-15-3-2-6(8(15)17)13-4-7(16)14-5-9(10,11)12/h6,13H,2-5H2,1H3,(H,14,16).
What are the key properties of 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 253.22 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 113237119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).