1-butanoyl-3-pentoxypyrrolidine-2,5-dione

C13H21NO4 — CID 174711752

IUPAC1-butanoyl-3-pentoxypyrrolidine-2,5-dione
SMILESCCCCCOC1CC(=O)N(C(=O)CCC)C1=O
InChIInChI=1S/C13H21NO4/c1-3-5-6-8-18-10-9-12(16)14(13(10)17)11(15)7-4-2/h10H,3-9H2,1-2H3
InChIKeyNGAJXGIEWGBHEY-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.65
Rot. Bonds7

About 1-butanoyl-3-pentoxypyrrolidine-2,5-dione

1-butanoyl-3-pentoxypyrrolidine-2,5-dione (PubChem CID 174711752) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-butanoyl-3-pentoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butanoyl-3-pentoxypyrrolidine-2,5-dione
PubChem CID174711752
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-butanoyl-3-pentoxypyrrolidine-2,5-dione
SMILESCCCCCOC1CC(=O)N(C(=O)CCC)C1=O
InChIInChI=1S/C13H21NO4/c1-3-5-6-8-18-10-9-12(16)14(13(10)17)11(15)7-4-2/h10H,3-9H2,1-2H3
InChIKeyNGAJXGIEWGBHEY-UHFFFAOYSA-N
XLogP1.65
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-benzyl-3-pentoxypyrrolidine-2,5-dione
CID 67816194
(1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate
CID 70110092
6-(2,5-dioxo-3-propoxypyrrolidin-1-yl)hexanoyl fluoride
CID 145323329
(4R)-4-nonoxyoxetan-2-one
CID 175477617
1-docosanoylpyrrolidine-2,5-dione
CID 149150583
3-(oxomethylidene)-5-pentoxypyrrolidin-2-one
CID 23037458
(3R)-3-octoxyoxolan-2-one
CID 67237543
2-ethoxy-3-pentoxycyclobutan-1-one
CID 104675164
4-butoxy-1-ethyl-5-phenyl-3,4-dihydropyridin-2-one
CID 150739756
1-butanoyl-3-tridecanoylpyrrolidine-2,4-dione
CID 72720952
3-heptoxy-2-propoxycyclobutan-1-one
CID 107942270
1-[8-(2,5-dioxo-3-sulfopyrrolidin-1-yl)-8-oxooctanoyl]-2,5-dioxopyrrolidine-3-sulfonic acid
CID 11752318

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-3-pentoxypyrrolidine-2,5-dione?
The IUPAC name of 1-butanoyl-3-pentoxypyrrolidine-2,5-dione (CID 174711752) is 1-butanoyl-3-pentoxypyrrolidine-2,5-dione.
What is the SMILES notation for 1-butanoyl-3-pentoxypyrrolidine-2,5-dione?
The canonical SMILES for 1-butanoyl-3-pentoxypyrrolidine-2,5-dione is CCCCCOC1CC(=O)N(C(=O)CCC)C1=O.
What is the InChIKey of 1-butanoyl-3-pentoxypyrrolidine-2,5-dione?
The InChIKey is NGAJXGIEWGBHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-3-5-6-8-18-10-9-12(16)14(13(10)17)11(15)7-4-2/h10H,3-9H2,1-2H3.
What are the key properties of 1-butanoyl-3-pentoxypyrrolidine-2,5-dione?
1-butanoyl-3-pentoxypyrrolidine-2,5-dione has a molecular weight of 255.31 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-3-pentoxypyrrolidine-2,5-dione is sourced from PubChem (CID 174711752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).