3-[bromo(cyclobutyl)methyl]-9H-carbazole

C17H16BrN — CID 63442259

IUPAC3-[bromo(cyclobutyl)methyl]-9H-carbazole
SMILESBrC(c1ccc2[nH]c3ccccc3c2c1)C1CCC1
InChIInChI=1S/C17H16BrN/c18-17(11-4-3-5-11)12-8-9-16-14(10-12)13-6-1-2-7-15(13)19-16/h1-2,6-11,17,19H,3-5H2
InChIKeyWHQSCQFXHUBZAL-UHFFFAOYSA-N
MW314.23 g/mol
LogP5.56
Rot. Bonds2

About 3-[bromo(cyclobutyl)methyl]-9H-carbazole

3-[bromo(cyclobutyl)methyl]-9H-carbazole (PubChem CID 63442259) has the molecular formula C17H16BrN and a molecular weight of 314.23 g/mol. Its IUPAC name is 3-[bromo(cyclobutyl)methyl]-9H-carbazole.

Molecular Properties

Compound Name3-[bromo(cyclobutyl)methyl]-9H-carbazole
PubChem CID63442259
Molecular FormulaC17H16BrN
Molecular Weight314.23 g/mol
Exact Mass313.05
IUPAC Name3-[bromo(cyclobutyl)methyl]-9H-carbazole
SMILESBrC(c1ccc2[nH]c3ccccc3c2c1)C1CCC1
InChIInChI=1S/C17H16BrN/c18-17(11-4-3-5-11)12-8-9-16-14(10-12)13-6-1-2-7-15(13)19-16/h1-2,6-11,17,19H,3-5H2
InChIKeyWHQSCQFXHUBZAL-UHFFFAOYSA-N
XLogP5.56
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.23
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[bromo(cyclobutyl)methyl]-9H-carbazole?
The IUPAC name of 3-[bromo(cyclobutyl)methyl]-9H-carbazole (CID 63442259) is 3-[bromo(cyclobutyl)methyl]-9H-carbazole.
What is the SMILES notation for 3-[bromo(cyclobutyl)methyl]-9H-carbazole?
The canonical SMILES for 3-[bromo(cyclobutyl)methyl]-9H-carbazole is BrC(c1ccc2[nH]c3ccccc3c2c1)C1CCC1.
What is the InChIKey of 3-[bromo(cyclobutyl)methyl]-9H-carbazole?
The InChIKey is WHQSCQFXHUBZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN/c18-17(11-4-3-5-11)12-8-9-16-14(10-12)13-6-1-2-7-15(13)19-16/h1-2,6-11,17,19H,3-5H2.
What are the key properties of 3-[bromo(cyclobutyl)methyl]-9H-carbazole?
3-[bromo(cyclobutyl)methyl]-9H-carbazole has a molecular weight of 314.23 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo(cyclobutyl)methyl]-9H-carbazole is sourced from PubChem (CID 63442259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).