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

C12H19NO4 — CID 19861406

IUPAC1-(1-acetyl-5-oxopyrrolidin-2-yl)butyl acetate
SMILESCCCC(OC(C)=O)C1CCC(=O)N1C(C)=O
InChIInChI=1S/C12H19NO4/c1-4-5-11(17-9(3)15)10-6-7-12(16)13(10)8(2)14/h10-11H,4-7H2,1-3H3
InChIKeyWXXFOVCGRDCDTE-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.26
Rot. Bonds4

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

1-(1-acetyl-5-oxopyrrolidin-2-yl)butyl acetate (PubChem CID 19861406) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(1-acetyl-5-oxopyrrolidin-2-yl)butyl acetate.

Molecular Properties

Compound Name1-(1-acetyl-5-oxopyrrolidin-2-yl)butyl acetate
PubChem CID19861406
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-(1-acetyl-5-oxopyrrolidin-2-yl)butyl acetate
SMILESCCCC(OC(C)=O)C1CCC(=O)N1C(C)=O
InChIInChI=1S/C12H19NO4/c1-4-5-11(17-9(3)15)10-6-7-12(16)13(10)8(2)14/h10-11H,4-7H2,1-3H3
InChIKeyWXXFOVCGRDCDTE-UHFFFAOYSA-N
XLogP1.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.26
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)butyl acetate?
The IUPAC name of 1-(1-acetyl-5-oxopyrrolidin-2-yl)butyl acetate (CID 19861406) is 1-(1-acetyl-5-oxopyrrolidin-2-yl)butyl acetate.
What is the SMILES notation for 1-(1-acetyl-5-oxopyrrolidin-2-yl)butyl acetate?
The canonical SMILES for 1-(1-acetyl-5-oxopyrrolidin-2-yl)butyl acetate is CCCC(OC(C)=O)C1CCC(=O)N1C(C)=O.
What is the InChIKey of 1-(1-acetyl-5-oxopyrrolidin-2-yl)butyl acetate?
The InChIKey is WXXFOVCGRDCDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-4-5-11(17-9(3)15)10-6-7-12(16)13(10)8(2)14/h10-11H,4-7H2,1-3H3.
What are the key properties of 1-(1-acetyl-5-oxopyrrolidin-2-yl)butyl acetate?
1-(1-acetyl-5-oxopyrrolidin-2-yl)butyl acetate has a molecular weight of 241.29 g/mol, XLogP of 1.26, 4 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)butyl acetate is sourced from PubChem (CID 19861406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).