4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one

C11H13BrN2O — CID 117022547

IUPAC4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one
SMILESCC1C(N)CC(=O)N1c1ccccc1Br
InChIInChI=1S/C11H13BrN2O/c1-7-9(13)6-11(15)14(7)10-5-3-2-4-8(10)12/h2-5,7,9H,6,13H2,1H3
InChIKeyVLJRYKXNJWMHNR-UHFFFAOYSA-N
MW269.14 g/mol
LogP1.90
Rot. Bonds1

About 4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one

4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one (PubChem CID 117022547) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one
PubChem CID117022547
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one
SMILESCC1C(N)CC(=O)N1c1ccccc1Br
InChIInChI=1S/C11H13BrN2O/c1-7-9(13)6-11(15)14(7)10-5-3-2-4-8(10)12/h2-5,7,9H,6,13H2,1H3
InChIKeyVLJRYKXNJWMHNR-UHFFFAOYSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-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-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one
CID 117022515
4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one
CID 117022081
1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine
CID 79396789
3-(3-amino-2-methyl-5-oxopyrrolidin-1-yl)benzonitrile
CID 117022561
1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
CID 117021898
4-amino-5-methyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 117022534
1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione
CID 64962424
1-(2-tert-butylphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
CID 117021896
1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 117021760
(3aR,7aS)-2-(2-bromophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2267253
4-(bromomethyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 168505744
1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575185

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one (CID 117022547) is 4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one is CC1C(N)CC(=O)N1c1ccccc1Br.
What is the InChIKey of 4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one?
The InChIKey is VLJRYKXNJWMHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-7-9(13)6-11(15)14(7)10-5-3-2-4-8(10)12/h2-5,7,9H,6,13H2,1H3.
What are the key properties of 4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one?
4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one has a molecular weight of 269.14 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 117022547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).