4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one

C12H19F3N2O — CID 168660113

IUPAC4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(C2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)9-1-3-10(4-2-9)17-7-8(6-16)5-11(17)18/h8-10H,1-7,16H2
InChIKeyPRUPWEWVZPFDTQ-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.91
Rot. Bonds2

About 4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one

4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one (PubChem CID 168660113) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
PubChem CID168660113
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(C2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)9-1-3-10(4-2-9)17-7-8(6-16)5-11(17)18/h8-10H,1-7,16H2
InChIKeyPRUPWEWVZPFDTQ-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168700059
4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one
CID 117005664
4-chloro-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168688457
4-ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168685129
5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 168691287
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
[1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine
CID 64753900
4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
CID 83040179
4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one
CID 117005737
4-(azidomethyl)-1-cyclopropylpyrrolidin-2-one
CID 168657099
4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one
CID 168658935
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one (CID 168660113) is 4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one is NCC1CC(=O)N(C2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one?
The InChIKey is PRUPWEWVZPFDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)9-1-3-10(4-2-9)17-7-8(6-16)5-11(17)18/h8-10H,1-7,16H2.
What are the key properties of 4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one has a molecular weight of 264.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one is sourced from PubChem (CID 168660113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).