[6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid

C11H13BN2O3 — CID 168686660

IUPAC[6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid
SMILESC=CC1CC(=O)N(c2ccc(B(O)O)cn2)C1
InChIInChI=1S/C11H13BN2O3/c1-2-8-5-11(15)14(7-8)10-4-3-9(6-13-10)12(16)17/h2-4,6,8,16-17H,1,5,7H2
InChIKeyZWXPOYVUDZTWRQ-UHFFFAOYSA-N
MW232.05 g/mol
LogP-0.70
Rot. Bonds3

About [6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid

[6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid (PubChem CID 168686660) has the molecular formula C11H13BN2O3 and a molecular weight of 232.05 g/mol. Its IUPAC name is [6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid
PubChem CID168686660
Molecular FormulaC11H13BN2O3
Molecular Weight232.05 g/mol
Exact Mass232.10
IUPAC Name[6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid
SMILESC=CC1CC(=O)N(c2ccc(B(O)O)cn2)C1
InChIInChI=1S/C11H13BN2O3/c1-2-8-5-11(15)14(7-8)10-4-3-9(6-13-10)12(16)17/h2-4,6,8,16-17H,1,5,7H2
InChIKeyZWXPOYVUDZTWRQ-UHFFFAOYSA-N
XLogP-0.70
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid?
The IUPAC name of [6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid (CID 168686660) is [6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid is C=CC1CC(=O)N(c2ccc(B(O)O)cn2)C1.
What is the InChIKey of [6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid?
The InChIKey is ZWXPOYVUDZTWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BN2O3/c1-2-8-5-11(15)14(7-8)10-4-3-9(6-13-10)12(16)17/h2-4,6,8,16-17H,1,5,7H2.
What are the key properties of [6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid?
[6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid has a molecular weight of 232.05 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 168686660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).