2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole

C12H19Br2N — CID 130196804

IUPAC2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole
SMILESBrC1CCC2C(C1)NC1CC(Br)CCC12
InChIInChI=1S/C12H19Br2N/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h7-12,15H,1-6H2
InChIKeyYZQWYGFKXHPVIX-UHFFFAOYSA-N
MW337.10 g/mol
LogP3.45
Rot. Bonds

About 2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole

2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole (PubChem CID 130196804) has the molecular formula C12H19Br2N and a molecular weight of 337.10 g/mol. Its IUPAC name is 2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole.

Molecular Properties

Compound Name2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole
PubChem CID130196804
Molecular FormulaC12H19Br2N
Molecular Weight337.10 g/mol
Exact Mass334.99
IUPAC Name2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole
SMILESBrC1CCC2C(C1)NC1CC(Br)CCC12
InChIInChI=1S/C12H19Br2N/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h7-12,15H,1-6H2
InChIKeyYZQWYGFKXHPVIX-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.10
LogP ≤ 53.45
H-Bond Donors ≤ 51
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 2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole?
The IUPAC name of 2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole (CID 130196804) is 2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole.
What is the SMILES notation for 2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole?
The canonical SMILES for 2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole is BrC1CCC2C(C1)NC1CC(Br)CCC12.
What is the InChIKey of 2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole?
The InChIKey is YZQWYGFKXHPVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Br2N/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h7-12,15H,1-6H2.
What are the key properties of 2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole?
2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole has a molecular weight of 337.10 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 2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole is sourced from PubChem (CID 130196804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).