9-[2-(bromomethyl)pentyl]carbazole

C18H20BrN — CID 65011374

IUPAC9-[2-(bromomethyl)pentyl]carbazole
SMILESCCCC(CBr)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H20BrN/c1-2-7-14(12-19)13-20-17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14H,2,7,12-13H2,1H3
InChIKeyYPQMCERIMYYILO-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.61
Rot. Bonds5

About 9-[2-(bromomethyl)pentyl]carbazole

9-[2-(bromomethyl)pentyl]carbazole (PubChem CID 65011374) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 9-[2-(bromomethyl)pentyl]carbazole.

Molecular Properties

Compound Name9-[2-(bromomethyl)pentyl]carbazole
PubChem CID65011374
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name9-[2-(bromomethyl)pentyl]carbazole
SMILESCCCC(CBr)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H20BrN/c1-2-7-14(12-19)13-20-17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14H,2,7,12-13H2,1H3
InChIKeyYPQMCERIMYYILO-UHFFFAOYSA-N
XLogP5.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 9-[2-(bromomethyl)pentyl]carbazole?
The IUPAC name of 9-[2-(bromomethyl)pentyl]carbazole (CID 65011374) is 9-[2-(bromomethyl)pentyl]carbazole.
What is the SMILES notation for 9-[2-(bromomethyl)pentyl]carbazole?
The canonical SMILES for 9-[2-(bromomethyl)pentyl]carbazole is CCCC(CBr)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-(bromomethyl)pentyl]carbazole?
The InChIKey is YPQMCERIMYYILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-2-7-14(12-19)13-20-17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14H,2,7,12-13H2,1H3.
What are the key properties of 9-[2-(bromomethyl)pentyl]carbazole?
9-[2-(bromomethyl)pentyl]carbazole has a molecular weight of 330.27 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(bromomethyl)pentyl]carbazole is sourced from PubChem (CID 65011374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).