3-(1-hydroxyicos-3-en-3-yl)pyrrolidine-2,5-dione

C24H43NO3 — CID 70522288

IUPAC3-(1-hydroxyicos-3-en-3-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCCCC=C(CCO)C1CC(=O)NC1=O
InChIInChI=1S/C24H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(18-19-26)22-20-23(27)25-24(22)28/h17,22,26H,2-16,18-20H2,1H3,(H,25,27,28)
InChIKeyJHIDALCQWROOPZ-UHFFFAOYSA-N
MW393.61 g/mol
LogP5.83
Rot. Bonds18

About 3-(1-hydroxyicos-3-en-3-yl)pyrrolidine-2,5-dione

3-(1-hydroxyicos-3-en-3-yl)pyrrolidine-2,5-dione (PubChem CID 70522288) has the molecular formula C24H43NO3 and a molecular weight of 393.61 g/mol. Its IUPAC name is 3-(1-hydroxyicos-3-en-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-hydroxyicos-3-en-3-yl)pyrrolidine-2,5-dione
PubChem CID70522288
Molecular FormulaC24H43NO3
Molecular Weight393.61 g/mol
Exact Mass393.32
IUPAC Name3-(1-hydroxyicos-3-en-3-yl)pyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCCCC=C(CCO)C1CC(=O)NC1=O
InChIInChI=1S/C24H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(18-19-26)22-20-23(27)25-24(22)28/h17,22,26H,2-16,18-20H2,1H3,(H,25,27,28)
InChIKeyJHIDALCQWROOPZ-UHFFFAOYSA-N
XLogP5.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.61
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyicos-3-en-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(1-hydroxyicos-3-en-3-yl)pyrrolidine-2,5-dione (CID 70522288) is 3-(1-hydroxyicos-3-en-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-hydroxyicos-3-en-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-hydroxyicos-3-en-3-yl)pyrrolidine-2,5-dione is CCCCCCCCCCCCCCCCC=C(CCO)C1CC(=O)NC1=O.
What is the InChIKey of 3-(1-hydroxyicos-3-en-3-yl)pyrrolidine-2,5-dione?
The InChIKey is JHIDALCQWROOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(18-19-26)22-20-23(27)25-24(22)28/h17,22,26H,2-16,18-20H2,1H3,(H,25,27,28).
What are the key properties of 3-(1-hydroxyicos-3-en-3-yl)pyrrolidine-2,5-dione?
3-(1-hydroxyicos-3-en-3-yl)pyrrolidine-2,5-dione has a molecular weight of 393.61 g/mol, XLogP of 5.83, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyicos-3-en-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 70522288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).