2-(4-acetyloxy-2-oxopyrrolidin-1-yl)ethyl acetate

C10H15NO5 — CID 22761667

IUPAC2-(4-acetyloxy-2-oxopyrrolidin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CC(OC(C)=O)CC1=O
InChIInChI=1S/C10H15NO5/c1-7(12)15-4-3-11-6-9(5-10(11)14)16-8(2)13/h9H,3-6H2,1-2H3
InChIKeyARTIMEKGBFLULP-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.29
Rot. Bonds4

About 2-(4-acetyloxy-2-oxopyrrolidin-1-yl)ethyl acetate

2-(4-acetyloxy-2-oxopyrrolidin-1-yl)ethyl acetate (PubChem CID 22761667) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-(4-acetyloxy-2-oxopyrrolidin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4-acetyloxy-2-oxopyrrolidin-1-yl)ethyl acetate
PubChem CID22761667
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-(4-acetyloxy-2-oxopyrrolidin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CC(OC(C)=O)CC1=O
InChIInChI=1S/C10H15NO5/c1-7(12)15-4-3-11-6-9(5-10(11)14)16-8(2)13/h9H,3-6H2,1-2H3
InChIKeyARTIMEKGBFLULP-UHFFFAOYSA-N
XLogP-0.29
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyloxy-2-oxopyrrolidin-1-yl)ethyl acetate?
The IUPAC name of 2-(4-acetyloxy-2-oxopyrrolidin-1-yl)ethyl acetate (CID 22761667) is 2-(4-acetyloxy-2-oxopyrrolidin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(4-acetyloxy-2-oxopyrrolidin-1-yl)ethyl acetate?
The canonical SMILES for 2-(4-acetyloxy-2-oxopyrrolidin-1-yl)ethyl acetate is CC(=O)OCCN1CC(OC(C)=O)CC1=O.
What is the InChIKey of 2-(4-acetyloxy-2-oxopyrrolidin-1-yl)ethyl acetate?
The InChIKey is ARTIMEKGBFLULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-7(12)15-4-3-11-6-9(5-10(11)14)16-8(2)13/h9H,3-6H2,1-2H3.
What are the key properties of 2-(4-acetyloxy-2-oxopyrrolidin-1-yl)ethyl acetate?
2-(4-acetyloxy-2-oxopyrrolidin-1-yl)ethyl acetate has a molecular weight of 229.23 g/mol, XLogP of -0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyloxy-2-oxopyrrolidin-1-yl)ethyl acetate is sourced from PubChem (CID 22761667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).