7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole

C11H10BrN — CID 700805

IUPAC7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESBrc1ccc2[nH]c3c(c2c1)CCC3
InChIInChI=1S/C11H10BrN/c12-7-4-5-11-9(6-7)8-2-1-3-10(8)13-11/h4-6,13H,1-3H2
InChIKeyXKDWSCYYHKJAGK-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.42
Rot. Bonds

About 7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole

7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 700805) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID700805
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESBrc1ccc2[nH]c3c(c2c1)CCC3
InChIInChI=1S/C11H10BrN/c12-7-4-5-11-9(6-7)8-2-1-3-10(8)13-11/h4-6,13H,1-3H2
InChIKeyXKDWSCYYHKJAGK-UHFFFAOYSA-N
XLogP3.42
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 700805) is 7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole is Brc1ccc2[nH]c3c(c2c1)CCC3.
What is the InChIKey of 7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is XKDWSCYYHKJAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c12-7-4-5-11-9(6-7)8-2-1-3-10(8)13-11/h4-6,13H,1-3H2.
What are the key properties of 7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole?
7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 236.11 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 700805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).