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

C8H13NO3 — CID 14323981

IUPAC2-(5-oxopyrrolidin-2-yl)ethyl acetate
SMILESCC(=O)OCCC1CCC(=O)N1
InChIInChI=1S/C8H13NO3/c1-6(10)12-5-4-7-2-3-8(11)9-7/h7H,2-5H2,1H3,(H,9,11)
InChIKeyQBJIWDVWEGCYPB-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.22
Rot. Bonds3

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

2-(5-oxopyrrolidin-2-yl)ethyl acetate (PubChem CID 14323981) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(5-oxopyrrolidin-2-yl)ethyl acetate.

Molecular Properties

Compound Name2-(5-oxopyrrolidin-2-yl)ethyl acetate
PubChem CID14323981
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(5-oxopyrrolidin-2-yl)ethyl acetate
SMILESCC(=O)OCCC1CCC(=O)N1
InChIInChI=1S/C8H13NO3/c1-6(10)12-5-4-7-2-3-8(11)9-7/h7H,2-5H2,1H3,(H,9,11)
InChIKeyQBJIWDVWEGCYPB-UHFFFAOYSA-N
XLogP0.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-(5-oxopyrrolidin-2-yl)propanoate
CID 558761
Methyl 3-(5-oxopyrrolidin-2-yl)propanoate
CID 558769
Methyl 2-(pyrrolidin-2-yl)acetate
CID 5323862
Methyl (5-oxopyrrolidin-2-yl)acetate
CID 14587545
Hexanoic acid, 6-(acetylamino)-, ethyl ester
CID 15881002
Ethyl 2-(pyrrolidin-2-yl)acetate hydrochloride
CID 50988249
Methyl 2-(5-oxopyrrolidin-2-yl)propanoate
CID 70510384
Propan-2-yl 3-(5-oxopyrrolidin-2-yl)propanoate
CID 44364466
Ethyl 2-(pyrrolidin-2-yl)acetate
CID 336545
Ethyl 3-acetamidohexanoate
CID 22460015
ethyl (3R)-3-acetamidohexanoate
CID 101002529
Ethyl 5-oxopyrrolidine-2-acetate
CID 14587546

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxopyrrolidin-2-yl)ethyl acetate?
The IUPAC name of 2-(5-oxopyrrolidin-2-yl)ethyl acetate (CID 14323981) is 2-(5-oxopyrrolidin-2-yl)ethyl acetate.
What is the SMILES notation for 2-(5-oxopyrrolidin-2-yl)ethyl acetate?
The canonical SMILES for 2-(5-oxopyrrolidin-2-yl)ethyl acetate is CC(=O)OCCC1CCC(=O)N1.
What is the InChIKey of 2-(5-oxopyrrolidin-2-yl)ethyl acetate?
The InChIKey is QBJIWDVWEGCYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(10)12-5-4-7-2-3-8(11)9-7/h7H,2-5H2,1H3,(H,9,11).
What are the key properties of 2-(5-oxopyrrolidin-2-yl)ethyl acetate?
2-(5-oxopyrrolidin-2-yl)ethyl acetate has a molecular weight of 171.20 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxopyrrolidin-2-yl)ethyl acetate is sourced from PubChem (CID 14323981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).