3-(5-oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate

C11H15NO3 — CID 70359983

IUPAC3-(5-oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate
SMILESC=CCC(=O)OC=CCC1CCC(=O)N1
InChIInChI=1S/C11H15NO3/c1-2-4-11(14)15-8-3-5-9-6-7-10(13)12-9/h2-3,8-9H,1,4-7H2,(H,12,13)
InChIKeyJEAAGTWIFPFDOX-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.29
Rot. Bonds5

About 3-(5-oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate

3-(5-oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate (PubChem CID 70359983) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-(5-oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate.

Molecular Properties

Compound Name3-(5-oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate
PubChem CID70359983
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-(5-oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate
SMILESC=CCC(=O)OC=CCC1CCC(=O)N1
InChIInChI=1S/C11H15NO3/c1-2-4-11(14)15-8-3-5-9-6-7-10(13)12-9/h2-3,8-9H,1,4-7H2,(H,12,13)
InChIKeyJEAAGTWIFPFDOX-UHFFFAOYSA-N
XLogP1.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate?
The IUPAC name of 3-(5-oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate (CID 70359983) is 3-(5-oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate.
What is the SMILES notation for 3-(5-oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate?
The canonical SMILES for 3-(5-oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate is C=CCC(=O)OC=CCC1CCC(=O)N1.
What is the InChIKey of 3-(5-oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate?
The InChIKey is JEAAGTWIFPFDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-4-11(14)15-8-3-5-9-6-7-10(13)12-9/h2-3,8-9H,1,4-7H2,(H,12,13).
What are the key properties of 3-(5-oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate?
3-(5-oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate has a molecular weight of 209.24 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxopyrrolidin-2-yl)prop-1-enyl but-3-enoate is sourced from PubChem (CID 70359983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).