7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole

C11H12BrN — CID 84700609

IUPAC7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
SMILESBrc1ccc2c(c1)C1CCCC1N2
InChIInChI=1S/C11H12BrN/c12-7-4-5-11-9(6-7)8-2-1-3-10(8)13-11/h4-6,8,10,13H,1-3H2
InChIKeyGJCFCCRODJCFIB-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.51
Rot. Bonds

About 7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole

7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole (PubChem CID 84700609) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole.

Molecular Properties

Compound Name7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
PubChem CID84700609
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
SMILESBrc1ccc2c(c1)C1CCCC1N2
InChIInChI=1S/C11H12BrN/c12-7-4-5-11-9(6-7)8-2-1-3-10(8)13-11/h4-6,8,10,13H,1-3H2
InChIKeyGJCFCCRODJCFIB-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-2,3,3a,5,10,10a-hexahydro-1H-cyclopenta[b][1,5]benzodiazepin-4-one
CID 79296684
(4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine
CID 130909450
8-bromo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinoline-4-thione
CID 22462483
5-bromo-3-cyclobutyl-2,3-dihydro-1H-indole
CID 106986337
5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid
CID 15896268
(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 143386629
(4aS,9aR)-6-bromo-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 67223868
6-bromo-1,2,3,4-tetrahydroquinolin-4-ol
CID 130137755
7-bromo-1,3,4,4a,5,9b-hexahydropyrano[4,3-b]indole
CID 84708148
7-bromo-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 67193567
6-bromo-3-cyclobutyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116837330
9-bromo-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridin-5-one
CID 84642766

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole?
The IUPAC name of 7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole (CID 84700609) is 7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole.
What is the SMILES notation for 7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole?
The canonical SMILES for 7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole is Brc1ccc2c(c1)C1CCCC1N2.
What is the InChIKey of 7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole?
The InChIKey is GJCFCCRODJCFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c12-7-4-5-11-9(6-7)8-2-1-3-10(8)13-11/h4-6,8,10,13H,1-3H2.
What are the key properties of 7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole?
7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole has a molecular weight of 238.13 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole is sourced from PubChem (CID 84700609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).