3-(4-butoxyphenyl)-1-methylpyrrolidine-2,5-dione

C15H19NO3 — CID 659485

IUPAC3-(4-butoxyphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCCCCOc1ccc(C2CC(=O)N(C)C2=O)cc1
InChIInChI=1S/C15H19NO3/c1-3-4-9-19-12-7-5-11(6-8-12)13-10-14(17)16(2)15(13)18/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyULQYRSURKWUPJJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.34
Rot. Bonds5

About 3-(4-butoxyphenyl)-1-methylpyrrolidine-2,5-dione

3-(4-butoxyphenyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 659485) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(4-butoxyphenyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-butoxyphenyl)-1-methylpyrrolidine-2,5-dione
PubChem CID659485
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(4-butoxyphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCCCCOc1ccc(C2CC(=O)N(C)C2=O)cc1
InChIInChI=1S/C15H19NO3/c1-3-4-9-19-12-7-5-11(6-8-12)13-10-14(17)16(2)15(13)18/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyULQYRSURKWUPJJ-UHFFFAOYSA-N
XLogP2.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-Pyrrolidinedione, 3-(4-(1-methylethoxy)phenyl)-
CID 214258
2-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acetamide
CID 44386193
3-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 3946238
Succinimide, 2,2'-((pentamethylenedioxy)di-p-phenylene)di-
CID 3071136
2-(4-Methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2908424
3-(4-Heptyloxy-phenyl)-1-methyl-pyrrolidine-2,5-dione
CID 3095544
1-Methyl-3-[4-(3-methylbutoxy)phenyl]pyrrolidine-2,5-dione
CID 3100539
3-(4-Isopropoxy-phenyl)-1-methyl-pyrrolidine-2,5-dione
CID 3105271
3-(4-Isopropoxyphenyl)-4-methyl-1-morpholinopentan-1-one
CID 3365865
3-(4-Methoxyphenyl)-4-methyl-1-(piperidin-1-yl)pentan-1-one
CID 3751885
1-(4-Pentoxyphenyl)-4-pyrrolidin-1-ylbutane-1,4-dione
CID 9208868
1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2878572

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-butoxyphenyl)-1-methylpyrrolidine-2,5-dione (CID 659485) is 3-(4-butoxyphenyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-butoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-butoxyphenyl)-1-methylpyrrolidine-2,5-dione is CCCCOc1ccc(C2CC(=O)N(C)C2=O)cc1.
What is the InChIKey of 3-(4-butoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is ULQYRSURKWUPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-4-9-19-12-7-5-11(6-8-12)13-10-14(17)16(2)15(13)18/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of 3-(4-butoxyphenyl)-1-methylpyrrolidine-2,5-dione?
3-(4-butoxyphenyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxyphenyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 659485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).