3-(4-propoxyphenyl)pyrrolidine-2,5-dione

C13H15NO3 — CID 2835327

IUPAC3-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(C2CC(=O)NC2=O)cc1
InChIInChI=1S/C13H15NO3/c1-2-7-17-10-5-3-9(4-6-10)11-8-12(15)14-13(11)16/h3-6,11H,2,7-8H2,1H3,(H,14,15,16)
InChIKeyAKUMXPMEIFGRPN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.61
Rot. Bonds4

About 3-(4-propoxyphenyl)pyrrolidine-2,5-dione

3-(4-propoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2835327) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(4-propoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-propoxyphenyl)pyrrolidine-2,5-dione
PubChem CID2835327
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(C2CC(=O)NC2=O)cc1
InChIInChI=1S/C13H15NO3/c1-2-7-17-10-5-3-9(4-6-10)11-8-12(15)14-13(11)16/h3-6,11H,2,7-8H2,1H3,(H,14,15,16)
InChIKeyAKUMXPMEIFGRPN-UHFFFAOYSA-N
XLogP1.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-propoxyphenyl)pyrrolidine-2,5-dione (CID 2835327) is 3-(4-propoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-propoxyphenyl)pyrrolidine-2,5-dione is CCCOc1ccc(C2CC(=O)NC2=O)cc1.
What is the InChIKey of 3-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is AKUMXPMEIFGRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-7-17-10-5-3-9(4-6-10)11-8-12(15)14-13(11)16/h3-6,11H,2,7-8H2,1H3,(H,14,15,16).
What are the key properties of 3-(4-propoxyphenyl)pyrrolidine-2,5-dione?
3-(4-propoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2835327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).