4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one

C13H17BrN2O — CID 117023303

IUPAC4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one
SMILESCc1cc(N2C(=O)CC(N)C2(C)C)ccc1Br
InChIInChI=1S/C13H17BrN2O/c1-8-6-9(4-5-10(8)14)16-12(17)7-11(15)13(16,2)3/h4-6,11H,7,15H2,1-3H3
InChIKeyLQCZHYJTHHCREZ-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.60
Rot. Bonds1

About 4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one

4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one (PubChem CID 117023303) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one
PubChem CID117023303
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one
SMILESCc1cc(N2C(=O)CC(N)C2(C)C)ccc1Br
InChIInChI=1S/C13H17BrN2O/c1-8-6-9(4-5-10(8)14)16-12(17)7-11(15)13(16,2)3/h4-6,11H,7,15H2,1-3H3
InChIKeyLQCZHYJTHHCREZ-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-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

1-(4-bromo-3-methylphenyl)-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile
CID 117023211
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958
1-(3,4-dimethylphenyl)-4-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one
CID 117023026
4-amino-5,5-dimethyl-1-(2-methylphenyl)pyrrolidin-2-one
CID 117023248
4-(4-bromo-3-methylphenyl)-3,3-dimethyl-1,4-diazepan-5-one
CID 117023514
1-(4-bromo-3-methylphenyl)-3-methylpyrrolidine-2,5-dione
CID 55139506
3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one
CID 66817851
4-(4-bromo-3-methylphenyl)-4,10-diazabicyclo[5.2.1]decane-3,5-dione
CID 71017128
4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one
CID 117023277
4-(4-bromo-3-methylphenyl)thiomorpholine-3,5-dione
CID 112683688
10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione
CID 142660493
(1R,2R,6S,7R)-4-(4-bromo-3-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23376421

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one (CID 117023303) is 4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one is Cc1cc(N2C(=O)CC(N)C2(C)C)ccc1Br.
What is the InChIKey of 4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one?
The InChIKey is LQCZHYJTHHCREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-8-6-9(4-5-10(8)14)16-12(17)7-11(15)13(16,2)3/h4-6,11H,7,15H2,1-3H3.
What are the key properties of 4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one?
4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one has a molecular weight of 297.20 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 117023303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).