N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C12H17F3N2O2 — CID 110343831

IUPACN-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)11(19)17-7-3-6-9(17)10(18)16-8-4-1-2-5-8/h8-9H,1-7H2,(H,16,18)
InChIKeyIVMYVAVMEYBUFW-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.60
Rot. Bonds2

About N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110343831) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110343831
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC NameN-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)11(19)17-7-3-6-9(17)10(18)16-8-4-1-2-5-8/h8-9H,1-7H2,(H,16,18)
InChIKeyIVMYVAVMEYBUFW-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-N-cyclohexyl-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 1445867
(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110285757
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 86587583
1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 115432078
(2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
CID 110285809
(2S)-1-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 124591348
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 142656009
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 62735060
(2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide
CID 54355584
2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 22953695

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110343831) is N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is O=C(NC1CCCC1)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is IVMYVAVMEYBUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c13-12(14,15)11(19)17-7-3-6-9(17)10(18)16-8-4-1-2-5-8/h8-9H,1-7H2,(H,16,18).
What are the key properties of N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 278.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110343831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).