4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one

C12H17N3O — CID 168659847

IUPAC4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N)cc1N1CC(CN)CC1=O
InChIInChI=1S/C12H17N3O/c1-8-2-3-10(14)5-11(8)15-7-9(6-13)4-12(15)16/h2-3,5,9H,4,6-7,13-14H2,1H3
InChIKeyZYFAOZHLYOPVJE-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.89
Rot. Bonds2

About 4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one

4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one (PubChem CID 168659847) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
PubChem CID168659847
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N)cc1N1CC(CN)CC1=O
InChIInChI=1S/C12H17N3O/c1-8-2-3-10(14)5-11(8)15-7-9(6-13)4-12(15)16/h2-3,5,9H,4,6-7,13-14H2,1H3
InChIKeyZYFAOZHLYOPVJE-UHFFFAOYSA-N
XLogP0.89
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-1-(5-amino-2-methylphenyl)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-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one
CID 168659855
1-(2-amino-3,4-dimethylphenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168659787
1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684817
4-amino-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]benzenesulfonic acid
CID 168660676
4-(aminomethyl)-1-(2-chloro-3-hydroxy-4-methylphenyl)pyrrolidin-2-one
CID 168659748
4-(aminomethyl)-1-(2,5-dimethyl-4-nitrophenyl)pyrrolidin-2-one
CID 168659978
4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168659759
[1-(4-amino-2-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681397
4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168659792
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N,3-dimethylbenzamide
CID 168659765
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylbenzoic acid
CID 168659844

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one (CID 168659847) is 4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one is Cc1ccc(N)cc1N1CC(CN)CC1=O.
What is the InChIKey of 4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one?
The InChIKey is ZYFAOZHLYOPVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-2-3-10(14)5-11(8)15-7-9(6-13)4-12(15)16/h2-3,5,9H,4,6-7,13-14H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168659847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).