[(E)-prop-1-enoxy]boronic acid

C3H7BO3 — CID 142694195

IUPAC[(E)-prop-1-enoxy]boronic acid
SMILESC/C=C/OB(O)O
InChIInChI=1S/C3H7BO3/c1-2-3-7-4(5)6/h2-3,5-6H,1H3/b3-2+
InChIKeyAHEHMEDQTGXXRH-NSCUHMNNSA-N
MW101.90 g/mol
LogP-0.49
Rot. Bonds2

About [(E)-prop-1-enoxy]boronic acid

[(E)-prop-1-enoxy]boronic acid (PubChem CID 142694195) has the molecular formula C3H7BO3 and a molecular weight of 101.90 g/mol. Its IUPAC name is [(E)-prop-1-enoxy]boronic acid.

Molecular Properties

Compound Name[(E)-prop-1-enoxy]boronic acid
PubChem CID142694195
Molecular FormulaC3H7BO3
Molecular Weight101.90 g/mol
Exact Mass102.05
IUPAC Name[(E)-prop-1-enoxy]boronic acid
SMILESC/C=C/OB(O)O
InChIInChI=1S/C3H7BO3/c1-2-3-7-4(5)6/h2-3,5-6H,1H3/b3-2+
InChIKeyAHEHMEDQTGXXRH-NSCUHMNNSA-N
XLogP-0.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.90
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene
CID 174796957
prop-1-enylmercury
CID 154078455
(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889095
prop-1-enoxymethanetriol
CID 141049988
N-[(E)-prop-1-enoxy]acetamide
CID 163790570
2-[(Z)-prop-1-enoxy]propan-1-ol
CID 134346043
but-2-ene;1-methoxyprop-1-ene
CID 91394801
[(E)-prop-1-enyl] acetate
CID 637917
ethane;(Z)-2-[(Z)-prop-1-enoxy]but-2-ene
CID 142889094
1-[(E)-prop-1-enoxy]ethenol
CID 140967802
ethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene
CID 87084077
O-prop-1-enylhydroxylamine;hydrochloride
CID 141490090

Frequently Asked Questions

What is the IUPAC name of [(E)-prop-1-enoxy]boronic acid?
The IUPAC name of [(E)-prop-1-enoxy]boronic acid (CID 142694195) is [(E)-prop-1-enoxy]boronic acid.
What is the SMILES notation for [(E)-prop-1-enoxy]boronic acid?
The canonical SMILES for [(E)-prop-1-enoxy]boronic acid is C/C=C/OB(O)O.
What is the InChIKey of [(E)-prop-1-enoxy]boronic acid?
The InChIKey is AHEHMEDQTGXXRH-NSCUHMNNSA-N. The full InChI is InChI=1S/C3H7BO3/c1-2-3-7-4(5)6/h2-3,5-6H,1H3/b3-2+.
What are the key properties of [(E)-prop-1-enoxy]boronic acid?
[(E)-prop-1-enoxy]boronic acid has a molecular weight of 101.90 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-prop-1-enoxy]boronic acid is sourced from PubChem (CID 142694195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).