(2-oxopyrrolidin-1-yl) but-3-enoate

C8H11NO3 — CID 68874665

IUPAC(2-oxopyrrolidin-1-yl) but-3-enoate
SMILESC=CCC(=O)ON1CCCC1=O
InChIInChI=1S/C8H11NO3/c1-2-4-8(11)12-9-6-3-5-7(9)10/h2H,1,3-6H2
InChIKeyGSNXYKGBKRAQDV-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.64
Rot. Bonds3

About (2-oxopyrrolidin-1-yl) but-3-enoate

(2-oxopyrrolidin-1-yl) but-3-enoate (PubChem CID 68874665) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl) but-3-enoate.

Molecular Properties

Compound Name(2-oxopyrrolidin-1-yl) but-3-enoate
PubChem CID68874665
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name(2-oxopyrrolidin-1-yl) but-3-enoate
SMILESC=CCC(=O)ON1CCCC1=O
InChIInChI=1S/C8H11NO3/c1-2-4-8(11)12-9-6-3-5-7(9)10/h2H,1,3-6H2
InChIKeyGSNXYKGBKRAQDV-UHFFFAOYSA-N
XLogP0.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-1-yl) but-3-enoate?
The IUPAC name of (2-oxopyrrolidin-1-yl) but-3-enoate (CID 68874665) is (2-oxopyrrolidin-1-yl) but-3-enoate.
What is the SMILES notation for (2-oxopyrrolidin-1-yl) but-3-enoate?
The canonical SMILES for (2-oxopyrrolidin-1-yl) but-3-enoate is C=CCC(=O)ON1CCCC1=O.
What is the InChIKey of (2-oxopyrrolidin-1-yl) but-3-enoate?
The InChIKey is GSNXYKGBKRAQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-4-8(11)12-9-6-3-5-7(9)10/h2H,1,3-6H2.
What are the key properties of (2-oxopyrrolidin-1-yl) but-3-enoate?
(2-oxopyrrolidin-1-yl) but-3-enoate has a molecular weight of 169.18 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-1-yl) but-3-enoate is sourced from PubChem (CID 68874665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).