N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide

C9H13F3N2O2 — CID 106322158

IUPACN,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O2/c1-8(6(15)13-2)3-4-14(5-8)7(16)9(10,11)12/h3-5H2,1-2H3,(H,13,15)
InChIKeyRKVMAIXQJCAVNX-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.53
Rot. Bonds1

About N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide

N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide (PubChem CID 106322158) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
PubChem CID106322158
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC NameN,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O2/c1-8(6(15)13-2)3-4-14(5-8)7(16)9(10,11)12/h3-5H2,1-2H3,(H,13,15)
InChIKeyRKVMAIXQJCAVNX-UHFFFAOYSA-N
XLogP0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318601
1-(3-amino-2,2,3-trimethylbutanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318267
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
1-N,1-N,3-N,3-tetramethylpyrrolidine-1,3-dicarboxamide
CID 106132532
N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxamide
CID 106151836
1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318282
1-(2-aminopropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318154
2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 106317949
3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 106317948
3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide
CID 106103750
1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317997
N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide
CID 106318285

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide (CID 106322158) is N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide?
The InChIKey is RKVMAIXQJCAVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-8(6(15)13-2)3-4-14(5-8)7(16)9(10,11)12/h3-5H2,1-2H3,(H,13,15).
What are the key properties of N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide?
N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide has a molecular weight of 238.21 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106322158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).