1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C15H20N2O2 — CID 43437275

IUPAC1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCc1cc(N)ccc1N1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C15H20N2O2/c1-9(2)15(4)8-13(18)17(14(15)19)12-6-5-11(16)7-10(12)3/h5-7,9H,8,16H2,1-4H3
InChIKeyDOOMYAMDIJLFJW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.50
Rot. Bonds2

About 1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 43437275) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID43437275
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCc1cc(N)ccc1N1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C15H20N2O2/c1-9(2)15(4)8-13(18)17(14(15)19)12-6-5-11(16)7-10(12)3/h5-7,9H,8,16H2,1-4H3
InChIKeyDOOMYAMDIJLFJW-UHFFFAOYSA-N
XLogP2.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 43437275) is 1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is Cc1cc(N)ccc1N1C(=O)CC(C)(C(C)C)C1=O.
What is the InChIKey of 1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is DOOMYAMDIJLFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9(2)15(4)8-13(18)17(14(15)19)12-6-5-11(16)7-10(12)3/h5-7,9H,8,16H2,1-4H3.
What are the key properties of 1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43437275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).