1-(1-acetyl-5-oxopyrrolidin-2-yl)ethyl acetate

C10H15NO4 — CID 14716213

IUPAC1-(1-acetyl-5-oxopyrrolidin-2-yl)ethyl acetate
SMILESCC(=O)OC(C)C1CCC(=O)N1C(C)=O
InChIInChI=1S/C10H15NO4/c1-6(15-8(3)13)9-4-5-10(14)11(9)7(2)12/h6,9H,4-5H2,1-3H3
InChIKeyYGWPLGSBAICNAT-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.48
Rot. Bonds2

About 1-(1-acetyl-5-oxopyrrolidin-2-yl)ethyl acetate

1-(1-acetyl-5-oxopyrrolidin-2-yl)ethyl acetate (PubChem CID 14716213) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(1-acetyl-5-oxopyrrolidin-2-yl)ethyl acetate.

Molecular Properties

Compound Name1-(1-acetyl-5-oxopyrrolidin-2-yl)ethyl acetate
PubChem CID14716213
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(1-acetyl-5-oxopyrrolidin-2-yl)ethyl acetate
SMILESCC(=O)OC(C)C1CCC(=O)N1C(C)=O
InChIInChI=1S/C10H15NO4/c1-6(15-8(3)13)9-4-5-10(14)11(9)7(2)12/h6,9H,4-5H2,1-3H3
InChIKeyYGWPLGSBAICNAT-UHFFFAOYSA-N
XLogP0.48
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-5-oxopyrrolidin-2-yl)ethyl acetate?
The IUPAC name of 1-(1-acetyl-5-oxopyrrolidin-2-yl)ethyl acetate (CID 14716213) is 1-(1-acetyl-5-oxopyrrolidin-2-yl)ethyl acetate.
What is the SMILES notation for 1-(1-acetyl-5-oxopyrrolidin-2-yl)ethyl acetate?
The canonical SMILES for 1-(1-acetyl-5-oxopyrrolidin-2-yl)ethyl acetate is CC(=O)OC(C)C1CCC(=O)N1C(C)=O.
What is the InChIKey of 1-(1-acetyl-5-oxopyrrolidin-2-yl)ethyl acetate?
The InChIKey is YGWPLGSBAICNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6(15-8(3)13)9-4-5-10(14)11(9)7(2)12/h6,9H,4-5H2,1-3H3.
What are the key properties of 1-(1-acetyl-5-oxopyrrolidin-2-yl)ethyl acetate?
1-(1-acetyl-5-oxopyrrolidin-2-yl)ethyl acetate has a molecular weight of 213.23 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-5-oxopyrrolidin-2-yl)ethyl acetate is sourced from PubChem (CID 14716213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).