4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one

C15H21BrN2O — CID 66479503

IUPAC4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCc1cc(C2C(N)CC(=O)N2CC(C)C)ccc1Br
InChIInChI=1S/C15H21BrN2O/c1-9(2)8-18-14(19)7-13(17)15(18)11-4-5-12(16)10(3)6-11/h4-6,9,13,15H,7-8,17H2,1-3H3
InChIKeyOHKSPQJWWGXKMT-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.01
Rot. Bonds3

About 4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one

4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 66479503) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID66479503
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCc1cc(C2C(N)CC(=O)N2CC(C)C)ccc1Br
InChIInChI=1S/C15H21BrN2O/c1-9(2)8-18-14(19)7-13(17)15(18)11-4-5-12(16)10(3)6-11/h4-6,9,13,15H,7-8,17H2,1-3H3
InChIKeyOHKSPQJWWGXKMT-UHFFFAOYSA-N
XLogP3.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)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

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one (CID 66479503) is 4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one is Cc1cc(C2C(N)CC(=O)N2CC(C)C)ccc1Br.
What is the InChIKey of 4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is OHKSPQJWWGXKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-9(2)8-18-14(19)7-13(17)15(18)11-4-5-12(16)10(3)6-11/h4-6,9,13,15H,7-8,17H2,1-3H3.
What are the key properties of 4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one?
4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 325.25 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 66479503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).