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

C12H19F3N2O — CID 102613000

IUPAC1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
SMILESCN1CCC(NC2CCCC(C(F)(F)F)C2)C1=O
InChIInChI=1S/C12H19F3N2O/c1-17-6-5-10(11(17)18)16-9-4-2-3-8(7-9)12(13,14)15/h8-10,16H,2-7H2,1H3
InChIKeyGBVLTJBDEFKKJB-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.93
Rot. Bonds2

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

1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one (PubChem CID 102613000) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
PubChem CID102613000
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
SMILESCN1CCC(NC2CCCC(C(F)(F)F)C2)C1=O
InChIInChI=1S/C12H19F3N2O/c1-17-6-5-10(11(17)18)16-9-4-2-3-8(7-9)12(13,14)15/h8-10,16H,2-7H2,1H3
InChIKeyGBVLTJBDEFKKJB-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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Related Compounds

(3S)-1-(1-methylpyrazol-4-yl)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
CID 99621152
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
(3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one
CID 129429821
3-[(4-aminocyclohexyl)amino]-1-methylpyrrolidin-2-one
CID 106253597
8-[(3R,5S)-3-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]-5-(trifluoromethyl)piperidin-1-yl]quinoxaline-5-carbonitrile
CID 129241444
N,N-dimethyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]piperidine-1-carboxamide
CID 103914469
1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64757172
N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43434428
3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 64746000
cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 124829993
1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
CID 103792111
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one (CID 102613000) is 1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one is CN1CCC(NC2CCCC(C(F)(F)F)C2)C1=O.
What is the InChIKey of 1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one?
The InChIKey is GBVLTJBDEFKKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-17-6-5-10(11(17)18)16-9-4-2-3-8(7-9)12(13,14)15/h8-10,16H,2-7H2,1H3.
What are the key properties of 1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one?
1-methyl-3-[[3-(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-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 102613000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).