1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione

C14H15NO3 — CID 126837522

IUPAC1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione
SMILESC=C(C)COc1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15NO3/c1-10(2)9-18-12-5-3-11(4-6-12)15-13(16)7-8-14(15)17/h3-6H,1,7-9H2,2H3
InChIKeyYFJCRDRSJGTCHS-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.29
Rot. Bonds4

About 1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione

1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione (PubChem CID 126837522) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione
PubChem CID126837522
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione
SMILESC=C(C)COc1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15NO3/c1-10(2)9-18-12-5-3-11(4-6-12)15-13(16)7-8-14(15)17/h3-6H,1,7-9H2,2H3
InChIKeyYFJCRDRSJGTCHS-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione (CID 126837522) is 1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione is C=C(C)COc1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione?
The InChIKey is YFJCRDRSJGTCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(2)9-18-12-5-3-11(4-6-12)15-13(16)7-8-14(15)17/h3-6H,1,7-9H2,2H3.
What are the key properties of 1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione?
1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione has a molecular weight of 245.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 126837522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).