1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione

C14H25NO3 — CID 15801162

IUPAC1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione
SMILESCCCCCCCCC1CC(=O)N(CCO)C1=O
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-12-11-13(17)15(9-10-16)14(12)18/h12,16H,2-11H2,1H3
InChIKeyDUKCHEIWHYEUDX-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.10
Rot. Bonds9

About 1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione

1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione (PubChem CID 15801162) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione
PubChem CID15801162
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione
SMILESCCCCCCCCC1CC(=O)N(CCO)C1=O
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-12-11-13(17)15(9-10-16)14(12)18/h12,16H,2-11H2,1H3
InChIKeyDUKCHEIWHYEUDX-UHFFFAOYSA-N
XLogP2.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.10
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'}

Analyze 1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione (CID 15801162) is 1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione is CCCCCCCCC1CC(=O)N(CCO)C1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione?
The InChIKey is DUKCHEIWHYEUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-12-11-13(17)15(9-10-16)14(12)18/h12,16H,2-11H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione?
1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione has a molecular weight of 255.36 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-octylpyrrolidine-2,5-dione is sourced from PubChem (CID 15801162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).