1-(4-methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one

C11H15NO3 — CID 134925451

IUPAC1-(4-methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one
SMILESCC1CC(=O)C(C(=O)N2CCCC2=O)C1
InChIInChI=1S/C11H15NO3/c1-7-5-8(9(13)6-7)11(15)12-4-2-3-10(12)14/h7-8H,2-6H2,1H3
InChIKeySYAAJMGJOIQXIL-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.75
Rot. Bonds1

About 1-(4-methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one

1-(4-methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one (PubChem CID 134925451) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-(4-methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one
PubChem CID134925451
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-(4-methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one
SMILESCC1CC(=O)C(C(=O)N2CCCC2=O)C1
InChIInChI=1S/C11H15NO3/c1-7-5-8(9(13)6-7)11(15)12-4-2-3-10(12)14/h7-8H,2-6H2,1H3
InChIKeySYAAJMGJOIQXIL-UHFFFAOYSA-N
XLogP0.75
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one (CID 134925451) is 1-(4-methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one is CC1CC(=O)C(C(=O)N2CCCC2=O)C1.
What is the InChIKey of 1-(4-methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one?
The InChIKey is SYAAJMGJOIQXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-5-8(9(13)6-7)11(15)12-4-2-3-10(12)14/h7-8H,2-6H2,1H3.
What are the key properties of 1-(4-methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one?
1-(4-methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one has a molecular weight of 209.24 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-oxocyclopentanecarbonyl)pyrrolidin-2-one is sourced from PubChem (CID 134925451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).