(1-benzylindol-5-yl)boronic acid

C15H14BNO2 — CID 134128465

IUPAC(1-benzylindol-5-yl)boronic acid
SMILESOB(O)c1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C15H14BNO2/c18-16(19)14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-10,18-19H,11H2
InChIKeyJKACPKHWZZGGJB-UHFFFAOYSA-N
MW251.09 g/mol
LogP1.37
Rot. Bonds3

About (1-benzylindol-5-yl)boronic acid

(1-benzylindol-5-yl)boronic acid (PubChem CID 134128465) has the molecular formula C15H14BNO2 and a molecular weight of 251.09 g/mol. Its IUPAC name is (1-benzylindol-5-yl)boronic acid.

Molecular Properties

Compound Name(1-benzylindol-5-yl)boronic acid
PubChem CID134128465
Molecular FormulaC15H14BNO2
Molecular Weight251.09 g/mol
Exact Mass251.11
IUPAC Name(1-benzylindol-5-yl)boronic acid
SMILESOB(O)c1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C15H14BNO2/c18-16(19)14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-10,18-19H,11H2
InChIKeyJKACPKHWZZGGJB-UHFFFAOYSA-N
XLogP1.37
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzylindol-5-yl)acetic acid
CID 71441824
1-benzyl-5-ethenylindole
CID 71373149
2-(1-benzylindol-5-yl)ethanethiol
CID 143923933
1-benzyl-N'-hydroxyindole-5-carboximidamide
CID 107920718
[(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium
CID 163765370
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
1-benzyl-N-methylsulfonylindole-5-carboxamide
CID 171343054
1-benzylindol-6-amine
CID 69325204
amino 3-(1-benzylindol-5-yl)prop-2-enoate
CID 76793084
[4-[(5-methoxyindol-1-yl)methyl]phenoxy]boronic acid
CID 169006286
1,2-bis(1-benzylindol-6-yl)hydrazine
CID 69325205
(E)-5-(1-benzylindol-5-yl)-N-hydroxy-4-oxopent-2-enamide
CID 58460273

Frequently Asked Questions

What is the IUPAC name of (1-benzylindol-5-yl)boronic acid?
The IUPAC name of (1-benzylindol-5-yl)boronic acid (CID 134128465) is (1-benzylindol-5-yl)boronic acid.
What is the SMILES notation for (1-benzylindol-5-yl)boronic acid?
The canonical SMILES for (1-benzylindol-5-yl)boronic acid is OB(O)c1ccc2c(ccn2Cc2ccccc2)c1.
What is the InChIKey of (1-benzylindol-5-yl)boronic acid?
The InChIKey is JKACPKHWZZGGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BNO2/c18-16(19)14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-10,18-19H,11H2.
What are the key properties of (1-benzylindol-5-yl)boronic acid?
(1-benzylindol-5-yl)boronic acid has a molecular weight of 251.09 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylindol-5-yl)boronic acid is sourced from PubChem (CID 134128465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).