(1-ethyl-9H-carbazol-2-yl)boronic acid

C14H14BNO2 — CID 141303113

IUPAC(1-ethyl-9H-carbazol-2-yl)boronic acid
SMILESCCc1c(B(O)O)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H14BNO2/c1-2-9-12(15(17)18)8-7-11-10-5-3-4-6-13(10)16-14(9)11/h3-8,16-18H,2H2,1H3
InChIKeyZOZPCCMNCAKALX-UHFFFAOYSA-N
MW239.08 g/mol
LogP1.56
Rot. Bonds2

About (1-ethyl-9H-carbazol-2-yl)boronic acid

(1-ethyl-9H-carbazol-2-yl)boronic acid (PubChem CID 141303113) has the molecular formula C14H14BNO2 and a molecular weight of 239.08 g/mol. Its IUPAC name is (1-ethyl-9H-carbazol-2-yl)boronic acid.

Molecular Properties

Compound Name(1-ethyl-9H-carbazol-2-yl)boronic acid
PubChem CID141303113
Molecular FormulaC14H14BNO2
Molecular Weight239.08 g/mol
Exact Mass239.11
IUPAC Name(1-ethyl-9H-carbazol-2-yl)boronic acid
SMILESCCc1c(B(O)O)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H14BNO2/c1-2-9-12(15(17)18)8-7-11-10-5-3-4-6-13(10)16-14(9)11/h3-8,16-18H,2H2,1H3
InChIKeyZOZPCCMNCAKALX-UHFFFAOYSA-N
XLogP1.56
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-carbazol-1-ylboronic acid
CID 53421584
1-ethyl-2-nonyl-9H-carbazole
CID 142709978
[2-(9H-carbazol-1-yl)phenyl]boronic acid
CID 66887079
11H-benzo[a]carbazol-1-ylboronic acid
CID 176903535
2-(1-methyl-9H-carbazol-2-yl)acetic acid
CID 54249777
bis(9H-carbazole);propane
CID 90987002
(2-phenyl-9H-carbazol-1-yl)boronic acid
CID 90240271
2,3-diethyl-1H-indole;hydrate
CID 70606554
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
CID 86153881
9H-carbazol-1-ylmethanol
CID 10987211
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
[1-(diazenylmethyl)-9H-carbazol-2-yl]methyldiazene
CID 91226838

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-9H-carbazol-2-yl)boronic acid?
The IUPAC name of (1-ethyl-9H-carbazol-2-yl)boronic acid (CID 141303113) is (1-ethyl-9H-carbazol-2-yl)boronic acid.
What is the SMILES notation for (1-ethyl-9H-carbazol-2-yl)boronic acid?
The canonical SMILES for (1-ethyl-9H-carbazol-2-yl)boronic acid is CCc1c(B(O)O)ccc2c1[nH]c1ccccc12.
What is the InChIKey of (1-ethyl-9H-carbazol-2-yl)boronic acid?
The InChIKey is ZOZPCCMNCAKALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BNO2/c1-2-9-12(15(17)18)8-7-11-10-5-3-4-6-13(10)16-14(9)11/h3-8,16-18H,2H2,1H3.
What are the key properties of (1-ethyl-9H-carbazol-2-yl)boronic acid?
(1-ethyl-9H-carbazol-2-yl)boronic acid has a molecular weight of 239.08 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-9H-carbazol-2-yl)boronic acid is sourced from PubChem (CID 141303113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).