1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one

C11H14ClN3O — CID 168660818

IUPAC1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccc(Cl)cc2N)C1
InChIInChI=1S/C11H14ClN3O/c12-8-1-2-10(9(14)4-8)15-6-7(5-13)3-11(15)16/h1-2,4,7H,3,5-6,13-14H2
InChIKeyILLIPGMGDOWXQM-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.23
Rot. Bonds2

About 1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one

1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one (PubChem CID 168660818) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
PubChem CID168660818
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccc(Cl)cc2N)C1
InChIInChI=1S/C11H14ClN3O/c12-8-1-2-10(9(14)4-8)15-6-7(5-13)3-11(15)16/h1-2,4,7H,3,5-6,13-14H2
InChIKeyILLIPGMGDOWXQM-UHFFFAOYSA-N
XLogP1.23
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-amino-4-chlorophenyl)-4-(aminomethyl)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

Related Compounds

4-(aminomethyl)-1-[4-chloro-2-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168660632
1-(2-amino-4-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691853
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138
1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660638
methyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-chlorobenzoate
CID 168659485
4-(aminomethyl)-1-(6-chloro-2-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168659881
[1-(4-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682685
4-(aminomethyl)-1-(2-chloro-3-hydroxy-4-methylphenyl)pyrrolidin-2-one
CID 168659748
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-fluorobenzoic acid
CID 168660594
1-(2-amino-3,4-dimethylphenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168659787
4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
CID 168659847
4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one
CID 168660871

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one (CID 168660818) is 1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one is NCC1CC(=O)N(c2ccc(Cl)cc2N)C1.
What is the InChIKey of 1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one?
The InChIKey is ILLIPGMGDOWXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-8-1-2-10(9(14)4-8)15-6-7(5-13)3-11(15)16/h1-2,4,7H,3,5-6,13-14H2.
What are the key properties of 1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one?
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one has a molecular weight of 239.71 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one is sourced from PubChem (CID 168660818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).