1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione

C15H20N2O2 — CID 55033422

IUPAC1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCC(CCN)N1C(=O)CC(C)(c2ccccc2)C1=O
InChIInChI=1S/C15H20N2O2/c1-11(8-9-16)17-13(18)10-15(2,14(17)19)12-6-4-3-5-7-12/h3-7,11H,8-10,16H2,1-2H3
InChIKeyNQHBZVVMRAIEKN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.44
Rot. Bonds4

About 1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione

1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione (PubChem CID 55033422) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione
PubChem CID55033422
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCC(CCN)N1C(=O)CC(C)(c2ccccc2)C1=O
InChIInChI=1S/C15H20N2O2/c1-11(8-9-16)17-13(18)10-15(2,14(17)19)12-6-4-3-5-7-12/h3-7,11H,8-10,16H2,1-2H3
InChIKeyNQHBZVVMRAIEKN-UHFFFAOYSA-N
XLogP1.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.44
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 1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione (CID 55033422) is 1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione is CC(CCN)N1C(=O)CC(C)(c2ccccc2)C1=O.
What is the InChIKey of 1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
The InChIKey is NQHBZVVMRAIEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(8-9-16)17-13(18)10-15(2,14(17)19)12-6-4-3-5-7-12/h3-7,11H,8-10,16H2,1-2H3.
What are the key properties of 1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione?
1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 55033422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).