1-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

C14H17NO3 — CID 3105271

IUPAC1-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc(C2CC(=O)N(C)C2=O)cc1
InChIInChI=1S/C14H17NO3/c1-9(2)18-11-6-4-10(5-7-11)12-8-13(16)15(3)14(12)17/h4-7,9,12H,8H2,1-3H3
InChIKeyYYIJJCJEHWLTFN-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.95
Rot. Bonds3

About 1-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

1-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione (PubChem CID 3105271) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
PubChem CID3105271
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc(C2CC(=O)N(C)C2=O)cc1
InChIInChI=1S/C14H17NO3/c1-9(2)18-11-6-4-10(5-7-11)12-8-13(16)15(3)14(12)17/h4-7,9,12H,8H2,1-3H3
InChIKeyYYIJJCJEHWLTFN-UHFFFAOYSA-N
XLogP1.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.95
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-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione (CID 3105271) is 1-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione is CC(C)Oc1ccc(C2CC(=O)N(C)C2=O)cc1.
What is the InChIKey of 1-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is YYIJJCJEHWLTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(2)18-11-6-4-10(5-7-11)12-8-13(16)15(3)14(12)17/h4-7,9,12H,8H2,1-3H3.
What are the key properties of 1-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
1-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 247.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3105271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).