6-bromo-2,3,4,9-tetrahydrocarbazol-1-one

C12H10BrNO — CID 708529

IUPAC6-bromo-2,3,4,9-tetrahydrocarbazol-1-one
SMILESO=C1CCCc2c1[nH]c1ccc(Br)cc21
InChIInChI=1S/C12H10BrNO/c13-7-4-5-10-9(6-7)8-2-1-3-11(15)12(8)14-10/h4-6,14H,1-3H2
InChIKeyUZMYPCOHBHVFJE-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.45
Rot. Bonds

About 6-bromo-2,3,4,9-tetrahydrocarbazol-1-one

6-bromo-2,3,4,9-tetrahydrocarbazol-1-one (PubChem CID 708529) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 6-bromo-2,3,4,9-tetrahydrocarbazol-1-one.

Molecular Properties

Compound Name6-bromo-2,3,4,9-tetrahydrocarbazol-1-one
PubChem CID708529
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name6-bromo-2,3,4,9-tetrahydrocarbazol-1-one
SMILESO=C1CCCc2c1[nH]c1ccc(Br)cc21
InChIInChI=1S/C12H10BrNO/c13-7-4-5-10-9(6-7)8-2-1-3-11(15)12(8)14-10/h4-6,14H,1-3H2
InChIKeyUZMYPCOHBHVFJE-UHFFFAOYSA-N
XLogP3.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-2,3,4,9-tetrahydrocarbazol-1-one?
The IUPAC name of 6-bromo-2,3,4,9-tetrahydrocarbazol-1-one (CID 708529) is 6-bromo-2,3,4,9-tetrahydrocarbazol-1-one.
What is the SMILES notation for 6-bromo-2,3,4,9-tetrahydrocarbazol-1-one?
The canonical SMILES for 6-bromo-2,3,4,9-tetrahydrocarbazol-1-one is O=C1CCCc2c1[nH]c1ccc(Br)cc21.
What is the InChIKey of 6-bromo-2,3,4,9-tetrahydrocarbazol-1-one?
The InChIKey is UZMYPCOHBHVFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c13-7-4-5-10-9(6-7)8-2-1-3-11(15)12(8)14-10/h4-6,14H,1-3H2.
What are the key properties of 6-bromo-2,3,4,9-tetrahydrocarbazol-1-one?
6-bromo-2,3,4,9-tetrahydrocarbazol-1-one has a molecular weight of 264.12 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3,4,9-tetrahydrocarbazol-1-one is sourced from PubChem (CID 708529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).