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

C9H14BNO4 — CID 71065956

IUPAC[2-(morpholin-4-ylmethyl)furan-3-yl]boronic acid
SMILESOB(O)c1ccoc1CN1CCOCC1
InChIInChI=1S/C9H14BNO4/c12-10(13)8-1-4-15-9(8)7-11-2-5-14-6-3-11/h1,4,12-13H,2-3,5-7H2
InChIKeyDUFYBZOFLRXMJF-UHFFFAOYSA-N
MW211.03 g/mol
LogP-1.21
Rot. Bonds3

About [2-(morpholin-4-ylmethyl)furan-3-yl]boronic acid

[2-(morpholin-4-ylmethyl)furan-3-yl]boronic acid (PubChem CID 71065956) has the molecular formula C9H14BNO4 and a molecular weight of 211.03 g/mol. Its IUPAC name is [2-(morpholin-4-ylmethyl)furan-3-yl]boronic acid.

Molecular Properties

Compound Name[2-(morpholin-4-ylmethyl)furan-3-yl]boronic acid
PubChem CID71065956
Molecular FormulaC9H14BNO4
Molecular Weight211.03 g/mol
Exact Mass211.10
IUPAC Name[2-(morpholin-4-ylmethyl)furan-3-yl]boronic acid
SMILESOB(O)c1ccoc1CN1CCOCC1
InChIInChI=1S/C9H14BNO4/c12-10(13)8-1-4-15-9(8)7-11-2-5-14-6-3-11/h1,4,12-13H,2-3,5-7H2
InChIKeyDUFYBZOFLRXMJF-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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Related Compounds

2-(morpholin-4-ylmethyl)furan-3-amine
CID 82407819
N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine
CID 62439019
N-[[3-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437907
[5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid
CID 71065996
3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
CID 43153189
[3-(morpholin-4-ylmethyl)phenyl]boronic acid
CID 11031409
[2,6-dimethoxy-4-(morpholin-4-ylmethyl)phenyl]boronic acid
CID 18667758
1-[(3-methylfuran-2-yl)methyl]piperidin-4-ol
CID 115880131
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614

Frequently Asked Questions

What is the IUPAC name of [2-(morpholin-4-ylmethyl)furan-3-yl]boronic acid?
The IUPAC name of [2-(morpholin-4-ylmethyl)furan-3-yl]boronic acid (CID 71065956) is [2-(morpholin-4-ylmethyl)furan-3-yl]boronic acid.
What is the SMILES notation for [2-(morpholin-4-ylmethyl)furan-3-yl]boronic acid?
The canonical SMILES for [2-(morpholin-4-ylmethyl)furan-3-yl]boronic acid is OB(O)c1ccoc1CN1CCOCC1.
What is the InChIKey of [2-(morpholin-4-ylmethyl)furan-3-yl]boronic acid?
The InChIKey is DUFYBZOFLRXMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BNO4/c12-10(13)8-1-4-15-9(8)7-11-2-5-14-6-3-11/h1,4,12-13H,2-3,5-7H2.
What are the key properties of [2-(morpholin-4-ylmethyl)furan-3-yl]boronic acid?
[2-(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 [2-(morpholin-4-ylmethyl)furan-3-yl]boronic acid is sourced from PubChem (CID 71065956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).