1-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one

C12H19F3N2O — CID 91661410

IUPAC1-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
SMILESCN1CCC(NC2CCCCC2C(F)(F)F)C1=O
InChIInChI=1S/C12H19F3N2O/c1-17-7-6-10(11(17)18)16-9-5-3-2-4-8(9)12(13,14)15/h8-10,16H,2-7H2,1H3
InChIKeyWVLZHGOIBHUEQZ-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.93
Rot. Bonds2

About 1-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one

1-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one (PubChem CID 91661410) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
PubChem CID91661410
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name1-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
SMILESCN1CCC(NC2CCCCC2C(F)(F)F)C1=O
InChIInChI=1S/C12H19F3N2O/c1-17-7-6-10(11(17)18)16-9-5-3-2-4-8(9)12(13,14)15/h8-10,16H,2-7H2,1H3
InChIKeyWVLZHGOIBHUEQZ-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 1-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one (CID 91661410) is 1-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one is CN1CCC(NC2CCCCC2C(F)(F)F)C1=O.
What is the InChIKey of 1-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one?
The InChIKey is WVLZHGOIBHUEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-17-7-6-10(11(17)18)16-9-5-3-2-4-8(9)12(13,14)15/h8-10,16H,2-7H2,1H3.
What are the key properties of 1-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one?
1-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one 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 1-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 91661410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).