2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate

C11H17NO3 — CID 142474413

IUPAC2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OCCN1CCCC1=O
InChIInChI=1S/C11H17NO3/c1-3-9(2)11(14)15-8-7-12-6-4-5-10(12)13/h3H,4-8H2,1-2H3/b9-3+
InChIKeyIQZOOAVCADILGN-YCRREMRBSA-N
MW211.26 g/mol
LogP1.12
Rot. Bonds4

About 2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate

2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate (PubChem CID 142474413) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate
PubChem CID142474413
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OCCN1CCCC1=O
InChIInChI=1S/C11H17NO3/c1-3-9(2)11(14)15-8-7-12-6-4-5-10(12)13/h3H,4-8H2,1-2H3/b9-3+
InChIKeyIQZOOAVCADILGN-YCRREMRBSA-N
XLogP1.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate (CID 142474413) is 2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate is C/C=C(\C)C(=O)OCCN1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate?
The InChIKey is IQZOOAVCADILGN-YCRREMRBSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-9(2)11(14)15-8-7-12-6-4-5-10(12)13/h3H,4-8H2,1-2H3/b9-3+.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate?
2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate has a molecular weight of 211.26 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)ethyl (E)-2-methylbut-2-enoate is sourced from PubChem (CID 142474413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).