1-(9-hydroxynonyl)pyrrole-2,5-dione

C13H21NO3 — CID 68659959

IUPAC1-(9-hydroxynonyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCCCCO
InChIInChI=1S/C13H21NO3/c15-11-7-5-3-1-2-4-6-10-14-12(16)8-9-13(14)17/h8-9,15H,1-7,10-11H2
InChIKeyYDPYWRSTHYTMLL-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.63
Rot. Bonds9

About 1-(9-hydroxynonyl)pyrrole-2,5-dione

1-(9-hydroxynonyl)pyrrole-2,5-dione (PubChem CID 68659959) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(9-hydroxynonyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(9-hydroxynonyl)pyrrole-2,5-dione
PubChem CID68659959
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(9-hydroxynonyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCCCCO
InChIInChI=1S/C13H21NO3/c15-11-7-5-3-1-2-4-6-10-14-12(16)8-9-13(14)17/h8-9,15H,1-7,10-11H2
InChIKeyYDPYWRSTHYTMLL-UHFFFAOYSA-N
XLogP1.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.63
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-(9-hydroxynonyl)pyrrole-2,5-dione?
The IUPAC name of 1-(9-hydroxynonyl)pyrrole-2,5-dione (CID 68659959) is 1-(9-hydroxynonyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(9-hydroxynonyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(9-hydroxynonyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCCCCCO.
What is the InChIKey of 1-(9-hydroxynonyl)pyrrole-2,5-dione?
The InChIKey is YDPYWRSTHYTMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-11-7-5-3-1-2-4-6-10-14-12(16)8-9-13(14)17/h8-9,15H,1-7,10-11H2.
What are the key properties of 1-(9-hydroxynonyl)pyrrole-2,5-dione?
1-(9-hydroxynonyl)pyrrole-2,5-dione has a molecular weight of 239.31 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-hydroxynonyl)pyrrole-2,5-dione is sourced from PubChem (CID 68659959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).