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

C15H19NO3 — CID 584277

IUPAC3-(4-butoxyphenyl)-3-methylpyrrolidine-2,5-dione
SMILESCCCCOc1ccc(C2(C)CC(=O)NC2=O)cc1
InChIInChI=1S/C15H19NO3/c1-3-4-9-19-12-7-5-11(6-8-12)15(2)10-13(17)16-14(15)18/h5-8H,3-4,9-10H2,1-2H3,(H,16,17,18)
InChIKeyZWSFGFKWKJCIFF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.17
Rot. Bonds5

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

3-(4-butoxyphenyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 584277) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(4-butoxyphenyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-butoxyphenyl)-3-methylpyrrolidine-2,5-dione
PubChem CID584277
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(4-butoxyphenyl)-3-methylpyrrolidine-2,5-dione
SMILESCCCCOc1ccc(C2(C)CC(=O)NC2=O)cc1
InChIInChI=1S/C15H19NO3/c1-3-4-9-19-12-7-5-11(6-8-12)15(2)10-13(17)16-14(15)18/h5-8H,3-4,9-10H2,1-2H3,(H,16,17,18)
InChIKeyZWSFGFKWKJCIFF-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
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

Ciglitazone
CID 2750
4-Butoxybenzeneacetamide
CID 76952
2,5-Pyrrolidinedione, 3-(4-(1-methylethoxy)phenyl)-
CID 214258
Succinimide, 2,2'-((pentamethylenedioxy)di-p-phenylene)di-
CID 3071136
1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopentanecarboxamide
CID 976659
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
4-(4-Isopropoxyphenyl)pyrrolidin-2-one
CID 3112940
3-(4-Propoxybenzyl)piperidine-2,6-dione
CID 5096405
Ciglitazone, (R)-
CID 6604850
3-(4-Ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione
CID 584360

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxyphenyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-butoxyphenyl)-3-methylpyrrolidine-2,5-dione (CID 584277) is 3-(4-butoxyphenyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-butoxyphenyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-butoxyphenyl)-3-methylpyrrolidine-2,5-dione is CCCCOc1ccc(C2(C)CC(=O)NC2=O)cc1.
What is the InChIKey of 3-(4-butoxyphenyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is ZWSFGFKWKJCIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-4-9-19-12-7-5-11(6-8-12)15(2)10-13(17)16-14(15)18/h5-8H,3-4,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of 3-(4-butoxyphenyl)-3-methylpyrrolidine-2,5-dione?
3-(4-butoxyphenyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxyphenyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 584277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).