4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile

C12H10F3N3O — CID 65483019

IUPAC4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(N2CCC(N)C2=O)cc1C(F)(F)F
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)9-5-8(2-1-7(9)6-16)18-4-3-10(17)11(18)19/h1-2,5,10H,3-4,17H2
InChIKeyUNSLSRIOKXXZCG-UHFFFAOYSA-N
MW269.23 g/mol
LogP1.64
Rot. Bonds1

About 4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile

4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile (PubChem CID 65483019) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
PubChem CID65483019
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(N2CCC(N)C2=O)cc1C(F)(F)F
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)9-5-8(2-1-7(9)6-16)18-4-3-10(17)11(18)19/h1-2,5,10H,3-4,17H2
InChIKeyUNSLSRIOKXXZCG-UHFFFAOYSA-N
XLogP1.64
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile 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-(2-oxo-4-sulfanylpyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 168709881
4-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 168671479
4-(azepan-1-yl)-2-(trifluoromethyl)benzonitrile
CID 43320619
4-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)benzonitrile
CID 60584985
[1-[4-cyano-3-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl] carbamate
CID 175472038
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)benzonitrile
CID 43581814
4-(2-iminopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 65484359
4-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 43320702
4-thiomorpholin-4-yl-2-(trifluoromethyl)benzonitrile
CID 43138542
4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(trifluoromethyl)benzonitrile
CID 118732596
3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 19710959
4-[(5R)-2-oxo-5-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 134350608

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile (CID 65483019) is 4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(N2CCC(N)C2=O)cc1C(F)(F)F.
What is the InChIKey of 4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile?
The InChIKey is UNSLSRIOKXXZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)9-5-8(2-1-7(9)6-16)18-4-3-10(17)11(18)19/h1-2,5,10H,3-4,17H2.
What are the key properties of 4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile?
4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile has a molecular weight of 269.23 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 65483019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).