1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione

C16H21NO3 — CID 141142430

IUPAC1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione
SMILESCCCCCC1CC(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C16H21NO3/c1-3-4-5-6-12-11-15(18)17(16(12)19)13-7-9-14(20-2)10-8-13/h7-10,12H,3-6,11H2,1-2H3
InChIKeyFYUFHNXKAZYSAY-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.15
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione

1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione (PubChem CID 141142430) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione
PubChem CID141142430
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione
SMILESCCCCCC1CC(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C16H21NO3/c1-3-4-5-6-12-11-15(18)17(16(12)19)13-7-9-14(20-2)10-8-13/h7-10,12H,3-6,11H2,1-2H3
InChIKeyFYUFHNXKAZYSAY-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione (CID 141142430) is 1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione is CCCCCC1CC(=O)N(c2ccc(OC)cc2)C1=O.
What is the InChIKey of 1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione?
The InChIKey is FYUFHNXKAZYSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-4-5-6-12-11-15(18)17(16(12)19)13-7-9-14(20-2)10-8-13/h7-10,12H,3-6,11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione?
1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-pentylpyrrolidine-2,5-dione is sourced from PubChem (CID 141142430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).