1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione

C14H23NO3 — CID 154612252

IUPAC1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)CC(=O)CCN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C14H23NO3/c1-9(2)7-11(16)5-6-15-13(17)8-12(10(3)4)14(15)18/h9-10,12H,5-8H2,1-4H3
InChIKeyWURQAJSEVWEIHH-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.02
Rot. Bonds6

About 1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione

1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 154612252) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID154612252
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)CC(=O)CCN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C14H23NO3/c1-9(2)7-11(16)5-6-15-13(17)8-12(10(3)4)14(15)18/h9-10,12H,5-8H2,1-4H3
InChIKeyWURQAJSEVWEIHH-UHFFFAOYSA-N
XLogP2.02
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.02
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-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione (CID 154612252) is 1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)CC(=O)CCN1C(=O)CC(C(C)C)C1=O.
What is the InChIKey of 1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is WURQAJSEVWEIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(2)7-11(16)5-6-15-13(17)8-12(10(3)4)14(15)18/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione?
1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 253.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 154612252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).