3-(5-ethyloxolan-2-yl)-1-methylpyrrolidine-2,5-dione

C11H17NO3 — CID 45095018

IUPAC3-(5-ethyloxolan-2-yl)-1-methylpyrrolidine-2,5-dione
SMILESCCC1CCC(C2CC(=O)N(C)C2=O)O1
InChIInChI=1S/C11H17NO3/c1-3-7-4-5-9(15-7)8-6-10(13)12(2)11(8)14/h7-9H,3-6H2,1-2H3
InChIKeyGVRROVQXRLPTJL-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.95
Rot. Bonds2

About 3-(5-ethyloxolan-2-yl)-1-methylpyrrolidine-2,5-dione

3-(5-ethyloxolan-2-yl)-1-methylpyrrolidine-2,5-dione (PubChem CID 45095018) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(5-ethyloxolan-2-yl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5-ethyloxolan-2-yl)-1-methylpyrrolidine-2,5-dione
PubChem CID45095018
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(5-ethyloxolan-2-yl)-1-methylpyrrolidine-2,5-dione
SMILESCCC1CCC(C2CC(=O)N(C)C2=O)O1
InChIInChI=1S/C11H17NO3/c1-3-7-4-5-9(15-7)8-6-10(13)12(2)11(8)14/h7-9H,3-6H2,1-2H3
InChIKeyGVRROVQXRLPTJL-UHFFFAOYSA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.95
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 3-(5-ethyloxolan-2-yl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(5-ethyloxolan-2-yl)-1-methylpyrrolidine-2,5-dione (CID 45095018) is 3-(5-ethyloxolan-2-yl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5-ethyloxolan-2-yl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(5-ethyloxolan-2-yl)-1-methylpyrrolidine-2,5-dione is CCC1CCC(C2CC(=O)N(C)C2=O)O1.
What is the InChIKey of 3-(5-ethyloxolan-2-yl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is GVRROVQXRLPTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-7-4-5-9(15-7)8-6-10(13)12(2)11(8)14/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(5-ethyloxolan-2-yl)-1-methylpyrrolidine-2,5-dione?
3-(5-ethyloxolan-2-yl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyloxolan-2-yl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 45095018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).