2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone

C13H19N3O — CID 61438205

IUPAC2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1ccccc1N
InChIInChI=1S/C13H19N3O/c1-15(12-7-3-2-6-11(12)14)10-13(17)16-8-4-5-9-16/h2-3,6-7H,4-5,8-10,14H2,1H3
InChIKeyULJKHEDZDLYYDU-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.33
Rot. Bonds3

About 2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone

2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone (PubChem CID 61438205) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
PubChem CID61438205
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1ccccc1N
InChIInChI=1S/C13H19N3O/c1-15(12-7-3-2-6-11(12)14)10-13(17)16-8-4-5-9-16/h2-3,6-7H,4-5,8-10,14H2,1H3
InChIKeyULJKHEDZDLYYDU-UHFFFAOYSA-N
XLogP1.33
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone 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

2-(2-amino-4-chloro-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438204
1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone
CID 60572838
2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone
CID 63230718
3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
CID 61438484
2-[2-(aminomethyl)-3-chloro-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 61441999
2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone
CID 56549650
2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438533
2-[(2-amino-6-bromophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438813
1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid
CID 62657444
2-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 61442295
2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 78790285
2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
CID 61440357

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone (CID 61438205) is 2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)c1ccccc1N.
What is the InChIKey of 2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone?
The InChIKey is ULJKHEDZDLYYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15(12-7-3-2-6-11(12)14)10-13(17)16-8-4-5-9-16/h2-3,6-7H,4-5,8-10,14H2,1H3.
What are the key properties of 2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone?
2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone has a molecular weight of 233.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 61438205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).