9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole

C15H17BrN2 — CID 58092314

IUPAC9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole
SMILESCn1c2c(c3ccc(Br)cc31)CCN1CCCC21
InChIInChI=1S/C15H17BrN2/c1-17-14-9-10(16)4-5-11(14)12-6-8-18-7-2-3-13(18)15(12)17/h4-5,9,13H,2-3,6-8H2,1H3
InChIKeyKCOPGRWEHDHHBW-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.63
Rot. Bonds

About 9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole

9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole (PubChem CID 58092314) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole.

Molecular Properties

Compound Name9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole
PubChem CID58092314
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole
SMILESCn1c2c(c3ccc(Br)cc31)CCN1CCCC21
InChIInChI=1S/C15H17BrN2/c1-17-14-9-10(16)4-5-11(14)12-6-8-18-7-2-3-13(18)15(12)17/h4-5,9,13H,2-3,6-8H2,1H3
InChIKeyKCOPGRWEHDHHBW-UHFFFAOYSA-N
XLogP3.63
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.63
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 9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole?
The IUPAC name of 9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole (CID 58092314) is 9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole.
What is the SMILES notation for 9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole?
The canonical SMILES for 9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole is Cn1c2c(c3ccc(Br)cc31)CCN1CCCC21.
What is the InChIKey of 9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole?
The InChIKey is KCOPGRWEHDHHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-17-14-9-10(16)4-5-11(14)12-6-8-18-7-2-3-13(18)15(12)17/h4-5,9,13H,2-3,6-8H2,1H3.
What are the key properties of 9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole?
9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole has a molecular weight of 305.22 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole is sourced from PubChem (CID 58092314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).