[5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid

C9H14BNO4 — CID 71065996

IUPAC[5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid
SMILESOB(O)c1coc(CN2CCOCC2)c1
InChIInChI=1S/C9H14BNO4/c12-10(13)8-5-9(15-7-8)6-11-1-3-14-4-2-11/h5,7,12-13H,1-4,6H2
InChIKeyXVZZDELCMIPCKW-UHFFFAOYSA-N
MW211.03 g/mol
LogP-1.21
Rot. Bonds3

About [5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid

[5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid (PubChem CID 71065996) has the molecular formula C9H14BNO4 and a molecular weight of 211.03 g/mol. Its IUPAC name is [5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid.

Molecular Properties

Compound Name[5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid
PubChem CID71065996
Molecular FormulaC9H14BNO4
Molecular Weight211.03 g/mol
Exact Mass211.10
IUPAC Name[5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid
SMILESOB(O)c1coc(CN2CCOCC2)c1
InChIInChI=1S/C9H14BNO4/c12-10(13)8-5-9(15-7-8)6-11-1-3-14-4-2-11/h5,7,12-13H,1-4,6H2
InChIKeyXVZZDELCMIPCKW-UHFFFAOYSA-N
XLogP-1.21
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.03
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid?
The IUPAC name of [5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid (CID 71065996) is [5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid.
What is the SMILES notation for [5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid?
The canonical SMILES for [5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid is OB(O)c1coc(CN2CCOCC2)c1.
What is the InChIKey of [5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid?
The InChIKey is XVZZDELCMIPCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BNO4/c12-10(13)8-5-9(15-7-8)6-11-1-3-14-4-2-11/h5,7,12-13H,1-4,6H2.
What are the key properties of [5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid?
[5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid has a molecular weight of 211.03 g/mol, XLogP of -1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid is sourced from PubChem (CID 71065996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).