N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H19F3N2O — CID 55227271

IUPACN-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)C1(C(F)(F)F)CCNC1)C1CCCC1
InChIInChI=1S/C12H19F3N2O/c1-17(9-4-2-3-5-9)10(18)11(12(13,14)15)6-7-16-8-11/h9,16H,2-8H2,1H3
InChIKeyHQUWNJHEFCVMEB-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.93
Rot. Bonds2

About N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227271) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227271
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC NameN-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)C1(C(F)(F)F)CCNC1)C1CCCC1
InChIInChI=1S/C12H19F3N2O/c1-17(9-4-2-3-5-9)10(18)11(12(13,14)15)6-7-16-8-11/h9,16H,2-8H2,1H3
InChIKeyHQUWNJHEFCVMEB-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227271) is N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(C(=O)C1(C(F)(F)F)CCNC1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is HQUWNJHEFCVMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-17(9-4-2-3-5-9)10(18)11(12(13,14)15)6-7-16-8-11/h9,16H,2-8H2,1H3.
What are the key properties of N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).