1-[(E)-3-(4-methylphenyl)prop-2-enoxy]pyrrolidine-2,5-dione

C14H15NO3 — CID 154708181

IUPAC1-[(E)-3-(4-methylphenyl)prop-2-enoxy]pyrrolidine-2,5-dione
SMILESCc1ccc(/C=C/CON2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15NO3/c1-11-4-6-12(7-5-11)3-2-10-18-15-13(16)8-9-14(15)17/h2-7H,8-10H2,1H3/b3-2+
InChIKeyZSNUXBJTZFNTBD-NSCUHMNNSA-N
MW245.28 g/mol
LogP2.09
Rot. Bonds4

About 1-[(E)-3-(4-methylphenyl)prop-2-enoxy]pyrrolidine-2,5-dione

1-[(E)-3-(4-methylphenyl)prop-2-enoxy]pyrrolidine-2,5-dione (PubChem CID 154708181) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[(E)-3-(4-methylphenyl)prop-2-enoxy]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-3-(4-methylphenyl)prop-2-enoxy]pyrrolidine-2,5-dione
PubChem CID154708181
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-[(E)-3-(4-methylphenyl)prop-2-enoxy]pyrrolidine-2,5-dione
SMILESCc1ccc(/C=C/CON2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15NO3/c1-11-4-6-12(7-5-11)3-2-10-18-15-13(16)8-9-14(15)17/h2-7H,8-10H2,1H3/b3-2+
InChIKeyZSNUXBJTZFNTBD-NSCUHMNNSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
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 1-[(E)-3-(4-methylphenyl)prop-2-enoxy]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(E)-3-(4-methylphenyl)prop-2-enoxy]pyrrolidine-2,5-dione (CID 154708181) is 1-[(E)-3-(4-methylphenyl)prop-2-enoxy]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(E)-3-(4-methylphenyl)prop-2-enoxy]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(E)-3-(4-methylphenyl)prop-2-enoxy]pyrrolidine-2,5-dione is Cc1ccc(/C=C/CON2C(=O)CCC2=O)cc1.
What is the InChIKey of 1-[(E)-3-(4-methylphenyl)prop-2-enoxy]pyrrolidine-2,5-dione?
The InChIKey is ZSNUXBJTZFNTBD-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H15NO3/c1-11-4-6-12(7-5-11)3-2-10-18-15-13(16)8-9-14(15)17/h2-7H,8-10H2,1H3/b3-2+.
What are the key properties of 1-[(E)-3-(4-methylphenyl)prop-2-enoxy]pyrrolidine-2,5-dione?
1-[(E)-3-(4-methylphenyl)prop-2-enoxy]pyrrolidine-2,5-dione has a molecular weight of 245.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-methylphenyl)prop-2-enoxy]pyrrolidine-2,5-dione is sourced from PubChem (CID 154708181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).