(1-formylpyrrolidin-2-yl)boronic acid

C5H10BNO3 — CID 143049670

IUPAC(1-formylpyrrolidin-2-yl)boronic acid
SMILESO=CN1CCCC1B(O)O
InChIInChI=1S/C5H10BNO3/c8-4-7-3-1-2-5(7)6(9)10/h4-5,9-10H,1-3H2
InChIKeyXFDBXDRIUCHGHO-UHFFFAOYSA-N
MW142.95 g/mol
LogP-1.38
Rot. Bonds2

About (1-formylpyrrolidin-2-yl)boronic acid

(1-formylpyrrolidin-2-yl)boronic acid (PubChem CID 143049670) has the molecular formula C5H10BNO3 and a molecular weight of 142.95 g/mol. Its IUPAC name is (1-formylpyrrolidin-2-yl)boronic acid.

Molecular Properties

Compound Name(1-formylpyrrolidin-2-yl)boronic acid
PubChem CID143049670
Molecular FormulaC5H10BNO3
Molecular Weight142.95 g/mol
Exact Mass143.08
IUPAC Name(1-formylpyrrolidin-2-yl)boronic acid
SMILESO=CN1CCCC1B(O)O
InChIInChI=1S/C5H10BNO3/c8-4-7-3-1-2-5(7)6(9)10/h4-5,9-10H,1-3H2
InChIKeyXFDBXDRIUCHGHO-UHFFFAOYSA-N
XLogP-1.38
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.95
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-formylpyrrolidin-2-yl)boronic acid?
The IUPAC name of (1-formylpyrrolidin-2-yl)boronic acid (CID 143049670) is (1-formylpyrrolidin-2-yl)boronic acid.
What is the SMILES notation for (1-formylpyrrolidin-2-yl)boronic acid?
The canonical SMILES for (1-formylpyrrolidin-2-yl)boronic acid is O=CN1CCCC1B(O)O.
What is the InChIKey of (1-formylpyrrolidin-2-yl)boronic acid?
The InChIKey is XFDBXDRIUCHGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BNO3/c8-4-7-3-1-2-5(7)6(9)10/h4-5,9-10H,1-3H2.
What are the key properties of (1-formylpyrrolidin-2-yl)boronic acid?
(1-formylpyrrolidin-2-yl)boronic acid has a molecular weight of 142.95 g/mol, XLogP of -1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-formylpyrrolidin-2-yl)boronic acid is sourced from PubChem (CID 143049670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).