3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-2,5-dione

C17H29NO3 — CID 150959526

IUPAC3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-2,5-dione
SMILESCCCCCCCCCC=CC1(CCO)CC(=O)NC1=O
InChIInChI=1S/C17H29NO3/c1-2-3-4-5-6-7-8-9-10-11-17(12-13-19)14-15(20)18-16(17)21/h10-11,19H,2-9,12-14H2,1H3,(H,18,20,21)
InChIKeyLLULZBXEGMVAST-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.10
Rot. Bonds11

About 3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-2,5-dione

3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-2,5-dione (PubChem CID 150959526) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-2,5-dione
PubChem CID150959526
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-2,5-dione
SMILESCCCCCCCCCC=CC1(CCO)CC(=O)NC1=O
InChIInChI=1S/C17H29NO3/c1-2-3-4-5-6-7-8-9-10-11-17(12-13-19)14-15(20)18-16(17)21/h10-11,19H,2-9,12-14H2,1H3,(H,18,20,21)
InChIKeyLLULZBXEGMVAST-UHFFFAOYSA-N
XLogP3.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.10
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'}

Analyze 3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-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 3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-2,5-dione (CID 150959526) is 3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-2,5-dione is CCCCCCCCCC=CC1(CCO)CC(=O)NC1=O.
What is the InChIKey of 3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-2,5-dione?
The InChIKey is LLULZBXEGMVAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-3-4-5-6-7-8-9-10-11-17(12-13-19)14-15(20)18-16(17)21/h10-11,19H,2-9,12-14H2,1H3,(H,18,20,21).
What are the key properties of 3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-2,5-dione?
3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-2,5-dione has a molecular weight of 295.42 g/mol, XLogP of 3.10, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-3-undec-1-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 150959526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).