1-(11-hydroxyundecyl)pyrrolidine-2,5-dione

C15H27NO3 — CID 70270206

IUPAC1-(11-hydroxyundecyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCCCCCCCCO
InChIInChI=1S/C15H27NO3/c17-13-9-7-5-3-1-2-4-6-8-12-16-14(18)10-11-15(16)19/h17H,1-13H2
InChIKeyPGLMIASYSZLVQI-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.64
Rot. Bonds11

About 1-(11-hydroxyundecyl)pyrrolidine-2,5-dione

1-(11-hydroxyundecyl)pyrrolidine-2,5-dione (PubChem CID 70270206) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(11-hydroxyundecyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(11-hydroxyundecyl)pyrrolidine-2,5-dione
PubChem CID70270206
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(11-hydroxyundecyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCCCCCCCCO
InChIInChI=1S/C15H27NO3/c17-13-9-7-5-3-1-2-4-6-8-12-16-14(18)10-11-15(16)19/h17H,1-13H2
InChIKeyPGLMIASYSZLVQI-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.64
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 1-(11-hydroxyundecyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(11-hydroxyundecyl)pyrrolidine-2,5-dione (CID 70270206) is 1-(11-hydroxyundecyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(11-hydroxyundecyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(11-hydroxyundecyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCCCCCCCCCO.
What is the InChIKey of 1-(11-hydroxyundecyl)pyrrolidine-2,5-dione?
The InChIKey is PGLMIASYSZLVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-13-9-7-5-3-1-2-4-6-8-12-16-14(18)10-11-15(16)19/h17H,1-13H2.
What are the key properties of 1-(11-hydroxyundecyl)pyrrolidine-2,5-dione?
1-(11-hydroxyundecyl)pyrrolidine-2,5-dione has a molecular weight of 269.38 g/mol, XLogP of 2.64, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-hydroxyundecyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 70270206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).