4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one

C12H13F3N2O2 — CID 168699736

IUPAC4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one
SMILESCc1cc(OC(F)(F)F)ccc1N1CC(N)CC1=O
InChIInChI=1S/C12H13F3N2O2/c1-7-4-9(19-12(13,14)15)2-3-10(7)17-6-8(16)5-11(17)18/h2-4,8H,5-6,16H2,1H3
InChIKeyDYCMOALJABIGKL-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.96
Rot. Bonds2

About 4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one

4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one (PubChem CID 168699736) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one
PubChem CID168699736
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one
SMILESCc1cc(OC(F)(F)F)ccc1N1CC(N)CC1=O
InChIInChI=1S/C12H13F3N2O2/c1-7-4-9(19-12(13,14)15)2-3-10(7)17-6-8(16)5-11(17)18/h2-4,8H,5-6,16H2,1H3
InChIKeyDYCMOALJABIGKL-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 43521142
4-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 66476045
4-(aminomethyl)-1-[2-bromo-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 168660842
1-[2-amino-4-(trifluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697980
1-[2-bromo-4-(trifluoromethoxy)phenyl]-4-chloropyrrolidin-2-one
CID 168689366
4-(aminomethyl)-1-[2-bromo-5-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 168660614
4-amino-1-(3-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168699821
4-amino-1-[2-iodo-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168700723
1-[2-bromo-4-(trifluoromethoxy)phenyl]-4-ethenylpyrrolidin-2-one
CID 168686037
4-(chloromethyl)-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 168508761
1-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691693
4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168699685

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one (CID 168699736) is 4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one is Cc1cc(OC(F)(F)F)ccc1N1CC(N)CC1=O.
What is the InChIKey of 4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is DYCMOALJABIGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-7-4-9(19-12(13,14)15)2-3-10(7)17-6-8(16)5-11(17)18/h2-4,8H,5-6,16H2,1H3.
What are the key properties of 4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 274.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-methyl-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168699736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).