5-bromo-1-carbazol-9-ylpentan-1-one

C17H16BrNO — CID 122483241

IUPAC5-bromo-1-carbazol-9-ylpentan-1-one
SMILESO=C(CCCCBr)n1c2ccccc2c2ccccc21
InChIInChI=1S/C17H16BrNO/c18-12-6-5-11-17(20)19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)19/h1-4,7-10H,5-6,11-12H2
InChIKeyNTPGWYYBCKLHKK-UHFFFAOYSA-N
MW330.23 g/mol
LogP5.00
Rot. Bonds4

About 5-bromo-1-carbazol-9-ylpentan-1-one

5-bromo-1-carbazol-9-ylpentan-1-one (PubChem CID 122483241) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-bromo-1-carbazol-9-ylpentan-1-one.

Molecular Properties

Compound Name5-bromo-1-carbazol-9-ylpentan-1-one
PubChem CID122483241
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name5-bromo-1-carbazol-9-ylpentan-1-one
SMILESO=C(CCCCBr)n1c2ccccc2c2ccccc21
InChIInChI=1S/C17H16BrNO/c18-12-6-5-11-17(20)19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)19/h1-4,7-10H,5-6,11-12H2
InChIKeyNTPGWYYBCKLHKK-UHFFFAOYSA-N
XLogP5.00
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-carbazol-9-ylpentan-1-one?
The IUPAC name of 5-bromo-1-carbazol-9-ylpentan-1-one (CID 122483241) is 5-bromo-1-carbazol-9-ylpentan-1-one.
What is the SMILES notation for 5-bromo-1-carbazol-9-ylpentan-1-one?
The canonical SMILES for 5-bromo-1-carbazol-9-ylpentan-1-one is O=C(CCCCBr)n1c2ccccc2c2ccccc21.
What is the InChIKey of 5-bromo-1-carbazol-9-ylpentan-1-one?
The InChIKey is NTPGWYYBCKLHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c18-12-6-5-11-17(20)19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)19/h1-4,7-10H,5-6,11-12H2.
What are the key properties of 5-bromo-1-carbazol-9-ylpentan-1-one?
5-bromo-1-carbazol-9-ylpentan-1-one has a molecular weight of 330.23 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-carbazol-9-ylpentan-1-one is sourced from PubChem (CID 122483241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).