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

C11H11NO3 — CID 20648098

IUPAC3-(4-methylphenoxy)pyrrolidine-2,5-dione
SMILESCc1ccc(OC2CC(=O)NC2=O)cc1
InChIInChI=1S/C11H11NO3/c1-7-2-4-8(5-3-7)15-9-6-10(13)12-11(9)14/h2-5,9H,6H2,1H3,(H,12,13,14)
InChIKeyKDDLDSBWNBPWGU-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.79
Rot. Bonds2

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

3-(4-methylphenoxy)pyrrolidine-2,5-dione (PubChem CID 20648098) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(4-methylphenoxy)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methylphenoxy)pyrrolidine-2,5-dione
PubChem CID20648098
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-(4-methylphenoxy)pyrrolidine-2,5-dione
SMILESCc1ccc(OC2CC(=O)NC2=O)cc1
InChIInChI=1S/C11H11NO3/c1-7-2-4-8(5-3-7)15-9-6-10(13)12-11(9)14/h2-5,9H,6H2,1H3,(H,12,13,14)
InChIKeyKDDLDSBWNBPWGU-UHFFFAOYSA-N
XLogP0.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.79
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-methylphenoxy)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methylphenoxy)pyrrolidine-2,5-dione (CID 20648098) is 3-(4-methylphenoxy)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methylphenoxy)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methylphenoxy)pyrrolidine-2,5-dione is Cc1ccc(OC2CC(=O)NC2=O)cc1.
What is the InChIKey of 3-(4-methylphenoxy)pyrrolidine-2,5-dione?
The InChIKey is KDDLDSBWNBPWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7-2-4-8(5-3-7)15-9-6-10(13)12-11(9)14/h2-5,9H,6H2,1H3,(H,12,13,14).
What are the key properties of 3-(4-methylphenoxy)pyrrolidine-2,5-dione?
3-(4-methylphenoxy)pyrrolidine-2,5-dione has a molecular weight of 205.21 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)pyrrolidine-2,5-dione is sourced from PubChem (CID 20648098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).