(4-acetyl-1H-indol-2-yl)boronic acid

C10H10BNO3 — CID 151803278

IUPAC(4-acetyl-1H-indol-2-yl)boronic acid
SMILESCC(=O)c1cccc2[nH]c(B(O)O)cc12
InChIInChI=1S/C10H10BNO3/c1-6(13)7-3-2-4-9-8(7)5-10(12-9)11(14)15/h2-5,12,14-15H,1H3
InChIKeyRZBKOBUEDHJBSG-UHFFFAOYSA-N
MW203.01 g/mol
LogP0.05
Rot. Bonds2

About (4-acetyl-1H-indol-2-yl)boronic acid

(4-acetyl-1H-indol-2-yl)boronic acid (PubChem CID 151803278) has the molecular formula C10H10BNO3 and a molecular weight of 203.01 g/mol. Its IUPAC name is (4-acetyl-1H-indol-2-yl)boronic acid.

Molecular Properties

Compound Name(4-acetyl-1H-indol-2-yl)boronic acid
PubChem CID151803278
Molecular FormulaC10H10BNO3
Molecular Weight203.01 g/mol
Exact Mass203.08
IUPAC Name(4-acetyl-1H-indol-2-yl)boronic acid
SMILESCC(=O)c1cccc2[nH]c(B(O)O)cc12
InChIInChI=1S/C10H10BNO3/c1-6(13)7-3-2-4-9-8(7)5-10(12-9)11(14)15/h2-5,12,14-15H,1H3
InChIKeyRZBKOBUEDHJBSG-UHFFFAOYSA-N
XLogP0.05
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.01
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-1H-quinolin-2-one
CID 13375477
[4-(fluoromethyl)-1H-indol-2-yl]boronic acid
CID 90840731
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480
2-methyl-1H-indole-4-carboxamide;hydrochloride
CID 175902728
1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone
CID 158702400
1-(6-methylnaphthalen-1-yl)ethanone
CID 15563484
methyl 2-propan-2-yl-1H-indole-4-carboxylate
CID 163972486
1-(2-acetylphenyl)ethanone;methane
CID 158210616
1-(2-ethoxy-3-methylphenyl)ethanone
CID 82074964
3-acetyl-2-methoxybenzaldehyde
CID 148697874
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-methyl-1H-indol-2-yl)borinic acid
CID 56844503
8-acetyl-9H-carbazole-2-carboxamide
CID 118680711

Frequently Asked Questions

What is the IUPAC name of (4-acetyl-1H-indol-2-yl)boronic acid?
The IUPAC name of (4-acetyl-1H-indol-2-yl)boronic acid (CID 151803278) is (4-acetyl-1H-indol-2-yl)boronic acid.
What is the SMILES notation for (4-acetyl-1H-indol-2-yl)boronic acid?
The canonical SMILES for (4-acetyl-1H-indol-2-yl)boronic acid is CC(=O)c1cccc2[nH]c(B(O)O)cc12.
What is the InChIKey of (4-acetyl-1H-indol-2-yl)boronic acid?
The InChIKey is RZBKOBUEDHJBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BNO3/c1-6(13)7-3-2-4-9-8(7)5-10(12-9)11(14)15/h2-5,12,14-15H,1H3.
What are the key properties of (4-acetyl-1H-indol-2-yl)boronic acid?
(4-acetyl-1H-indol-2-yl)boronic acid has a molecular weight of 203.01 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyl-1H-indol-2-yl)boronic acid is sourced from PubChem (CID 151803278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).