1-(1-acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate

C11H17NO4 — CID 19861407

IUPAC1-(1-acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate
SMILESCC(=O)OC(C)C1C(C)CC(=O)N1C(C)=O
InChIInChI=1S/C11H17NO4/c1-6-5-10(15)12(8(3)13)11(6)7(2)16-9(4)14/h6-7,11H,5H2,1-4H3
InChIKeyINQUERSRPKDTJK-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.72
Rot. Bonds2

About 1-(1-acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate

1-(1-acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate (PubChem CID 19861407) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(1-acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate.

Molecular Properties

Compound Name1-(1-acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate
PubChem CID19861407
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-(1-acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate
SMILESCC(=O)OC(C)C1C(C)CC(=O)N1C(C)=O
InChIInChI=1S/C11H17NO4/c1-6-5-10(15)12(8(3)13)11(6)7(2)16-9(4)14/h6-7,11H,5H2,1-4H3
InChIKeyINQUERSRPKDTJK-UHFFFAOYSA-N
XLogP0.72
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate?
The IUPAC name of 1-(1-acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate (CID 19861407) is 1-(1-acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate.
What is the SMILES notation for 1-(1-acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate?
The canonical SMILES for 1-(1-acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate is CC(=O)OC(C)C1C(C)CC(=O)N1C(C)=O.
What is the InChIKey of 1-(1-acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate?
The InChIKey is INQUERSRPKDTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-6-5-10(15)12(8(3)13)11(6)7(2)16-9(4)14/h6-7,11H,5H2,1-4H3.
What are the key properties of 1-(1-acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate?
1-(1-acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate has a molecular weight of 227.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-3-methyl-5-oxopyrrolidin-2-yl)ethyl acetate is sourced from PubChem (CID 19861407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).