6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one

C13H12BrNO — CID 708530

IUPAC6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one
SMILESCn1c2c(c3cc(Br)ccc31)CCCC2=O
InChIInChI=1S/C13H12BrNO/c1-15-11-6-5-8(14)7-10(11)9-3-2-4-12(16)13(9)15/h5-7H,2-4H2,1H3
InChIKeySKCOAJQVJZTOEY-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.46
Rot. Bonds

About 6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one

6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one (PubChem CID 708530) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one
PubChem CID708530
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one
SMILESCn1c2c(c3cc(Br)ccc31)CCCC2=O
InChIInChI=1S/C13H12BrNO/c1-15-11-6-5-8(14)7-10(11)9-3-2-4-12(16)13(9)15/h5-7H,2-4H2,1H3
InChIKeySKCOAJQVJZTOEY-UHFFFAOYSA-N
XLogP3.46
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one (CID 708530) is 6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one is Cn1c2c(c3cc(Br)ccc31)CCCC2=O.
What is the InChIKey of 6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is SKCOAJQVJZTOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-15-11-6-5-8(14)7-10(11)9-3-2-4-12(16)13(9)15/h5-7H,2-4H2,1H3.
What are the key properties of 6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one?
6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 278.15 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 708530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).