2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide

C10H15F3N2O2 — CID 22387089

IUPAC2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(CC(F)(F)F)CC1=O
InChIInChI=1S/C10H15F3N2O2/c1-2-7(9(14)17)15-5-6(3-8(15)16)4-10(11,12)13/h6-7H,2-5H2,1H3,(H2,14,17)
InChIKeyHXHWXTUDNVHGOW-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.05
Rot. Bonds4

About 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide

2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide (PubChem CID 22387089) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide
PubChem CID22387089
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CC(CC(F)(F)F)CC1=O
InChIInChI=1S/C10H15F3N2O2/c1-2-7(9(14)17)15-5-6(3-8(15)16)4-10(11,12)13/h6-7H,2-5H2,1H3,(H2,14,17)
InChIKeyHXHWXTUDNVHGOW-UHFFFAOYSA-N
XLogP1.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Brivaracetam
CID 9837243
L-valyl-L-prolinamide
CID 11615440
(2S)-1-[(2S,3R)-2-amino-3-methylpentanoyl]-4,4-difluoropyrrolidine-2-carbonitrile
CID 122194796
Pyrrolidine, 1-[(2S,3R)-2-amino-3-methyl-1-oxopentyl]-
CID 9794073
(2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan-1-one
CID 9796352
rac-Brivaracetam
CID 9834332
Brivaracetam, (I+-S,4S)-
CID 9855859
(2S)-2-(4-ethyl-2-oxopyrrolidin-1-yl)butanamide
CID 9942405
2-Amino-3-methyl-1-pyrrolidin-1-yl-pentan-1-one
CID 10130255
(2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one
CID 10584272
(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carboxamide
CID 53869936
2-Amino-1-(3-fluoro-pyrrolidin-1-yl)-3-methyl-pentan-1-one
CID 44364126

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide (CID 22387089) is 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1CC(CC(F)(F)F)CC1=O.
What is the InChIKey of 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide?
The InChIKey is HXHWXTUDNVHGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-2-7(9(14)17)15-5-6(3-8(15)16)4-10(11,12)13/h6-7H,2-5H2,1H3,(H2,14,17).
What are the key properties of 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide?
2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide has a molecular weight of 252.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 22387089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).