1-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propyl acetate

C16H19NO4 — CID 142165548

IUPAC1-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propyl acetate
SMILESCCC(OC(C)=O)C1C(=O)N(c2ccccc2)C(=O)C1C
InChIInChI=1S/C16H19NO4/c1-4-13(21-11(3)18)14-10(2)15(19)17(16(14)20)12-8-6-5-7-9-12/h5-10,13-14H,4H2,1-3H3
InChIKeyAZLUDDAIPHHSIE-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.15
Rot. Bonds4

About 1-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propyl acetate

1-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propyl acetate (PubChem CID 142165548) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propyl acetate.

Molecular Properties

Compound Name1-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propyl acetate
PubChem CID142165548
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propyl acetate
SMILESCCC(OC(C)=O)C1C(=O)N(c2ccccc2)C(=O)C1C
InChIInChI=1S/C16H19NO4/c1-4-13(21-11(3)18)14-10(2)15(19)17(16(14)20)12-8-6-5-7-9-12/h5-10,13-14H,4H2,1-3H3
InChIKeyAZLUDDAIPHHSIE-UHFFFAOYSA-N
XLogP2.15
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propyl acetate?
The IUPAC name of 1-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propyl acetate (CID 142165548) is 1-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propyl acetate.
What is the SMILES notation for 1-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propyl acetate?
The canonical SMILES for 1-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propyl acetate is CCC(OC(C)=O)C1C(=O)N(c2ccccc2)C(=O)C1C.
What is the InChIKey of 1-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propyl acetate?
The InChIKey is AZLUDDAIPHHSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-4-13(21-11(3)18)14-10(2)15(19)17(16(14)20)12-8-6-5-7-9-12/h5-10,13-14H,4H2,1-3H3.
What are the key properties of 1-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propyl acetate?
1-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propyl acetate has a molecular weight of 289.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)propyl acetate is sourced from PubChem (CID 142165548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).