3-ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione

C13H23NO3 — CID 57319175

IUPAC3-ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(CCCCCCO)C1=O
InChIInChI=1S/C13H23NO3/c1-3-13(2)10-11(16)14(12(13)17)8-6-4-5-7-9-15/h15H,3-10H2,1-2H3
InChIKeyONYNGKWXGIACNI-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.71
Rot. Bonds7

About 3-ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione

3-ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 57319175) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione
PubChem CID57319175
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(CCCCCCO)C1=O
InChIInChI=1S/C13H23NO3/c1-3-13(2)10-11(16)14(12(13)17)8-6-4-5-7-9-15/h15H,3-10H2,1-2H3
InChIKeyONYNGKWXGIACNI-UHFFFAOYSA-N
XLogP1.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione (CID 57319175) is 3-ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione is CCC1(C)CC(=O)N(CCCCCCO)C1=O.
What is the InChIKey of 3-ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is ONYNGKWXGIACNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-13(2)10-11(16)14(12(13)17)8-6-4-5-7-9-15/h15H,3-10H2,1-2H3.
What are the key properties of 3-ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione?
3-ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 241.33 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(6-hydroxyhexyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 57319175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).