3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione

C13H16N2O2 — CID 82159012

IUPAC3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(CN2C(=O)CC(N)C2=O)c1
InChIInChI=1S/C13H16N2O2/c1-8-3-4-9(2)10(5-8)7-15-12(16)6-11(14)13(15)17/h3-5,11H,6-7,14H2,1-2H3
InChIKeyPIEQLLWKEBTZHU-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.89
Rot. Bonds2

About 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione

3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 82159012) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID82159012
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(CN2C(=O)CC(N)C2=O)c1
InChIInChI=1S/C13H16N2O2/c1-8-3-4-9(2)10(5-8)7-15-12(16)6-11(14)13(15)17/h3-5,11H,6-7,14H2,1-2H3
InChIKeyPIEQLLWKEBTZHU-UHFFFAOYSA-N
XLogP0.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione (CID 82159012) is 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione is Cc1ccc(C)c(CN2C(=O)CC(N)C2=O)c1.
What is the InChIKey of 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is PIEQLLWKEBTZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-3-4-9(2)10(5-8)7-15-12(16)6-11(14)13(15)17/h3-5,11H,6-7,14H2,1-2H3.
What are the key properties of 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 82159012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).