1-ethyl-3-(5-methyloxolan-2-yl)pyrrolidine-2,5-dione

C11H17NO3 — CID 45095019

IUPAC1-ethyl-3-(5-methyloxolan-2-yl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(C2CCC(C)O2)C1=O
InChIInChI=1S/C11H17NO3/c1-3-12-10(13)6-8(11(12)14)9-5-4-7(2)15-9/h7-9H,3-6H2,1-2H3
InChIKeyLGBBCXRQJCVAEK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.95
Rot. Bonds2

About 1-ethyl-3-(5-methyloxolan-2-yl)pyrrolidine-2,5-dione

1-ethyl-3-(5-methyloxolan-2-yl)pyrrolidine-2,5-dione (PubChem CID 45095019) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-ethyl-3-(5-methyloxolan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(5-methyloxolan-2-yl)pyrrolidine-2,5-dione
PubChem CID45095019
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-ethyl-3-(5-methyloxolan-2-yl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(C2CCC(C)O2)C1=O
InChIInChI=1S/C11H17NO3/c1-3-12-10(13)6-8(11(12)14)9-5-4-7(2)15-9/h7-9H,3-6H2,1-2H3
InChIKeyLGBBCXRQJCVAEK-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 1-ethyl-3-(5-methyloxolan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(5-methyloxolan-2-yl)pyrrolidine-2,5-dione (CID 45095019) is 1-ethyl-3-(5-methyloxolan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(5-methyloxolan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(5-methyloxolan-2-yl)pyrrolidine-2,5-dione is CCN1C(=O)CC(C2CCC(C)O2)C1=O.
What is the InChIKey of 1-ethyl-3-(5-methyloxolan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is LGBBCXRQJCVAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-12-10(13)6-8(11(12)14)9-5-4-7(2)15-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-3-(5-methyloxolan-2-yl)pyrrolidine-2,5-dione?
1-ethyl-3-(5-methyloxolan-2-yl)pyrrolidine-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 1-ethyl-3-(5-methyloxolan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 45095019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).