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

C12H12BrN — CID 22381754

IUPAC5-bromo-3-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCC1CCc2c1[nH]c1c(Br)cccc21
InChIInChI=1S/C12H12BrN/c1-7-5-6-9-8-3-2-4-10(13)12(8)14-11(7)9/h2-4,7,14H,5-6H2,1H3
InChIKeyCGHAYPNSZNYGFT-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.98
Rot. Bonds

About 5-bromo-3-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole

5-bromo-3-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 22381754) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 5-bromo-3-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name5-bromo-3-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID22381754
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name5-bromo-3-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESCC1CCc2c1[nH]c1c(Br)cccc21
InChIInChI=1S/C12H12BrN/c1-7-5-6-9-8-3-2-4-10(13)12(8)14-11(7)9/h2-4,7,14H,5-6H2,1H3
InChIKeyCGHAYPNSZNYGFT-UHFFFAOYSA-N
XLogP3.98
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 5-bromo-3-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 22381754) is 5-bromo-3-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 5-bromo-3-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 5-bromo-3-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole is CC1CCc2c1[nH]c1c(Br)cccc21.
What is the InChIKey of 5-bromo-3-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is CGHAYPNSZNYGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-7-5-6-9-8-3-2-4-10(13)12(8)14-11(7)9/h2-4,7,14H,5-6H2,1H3.
What are the key properties of 5-bromo-3-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
5-bromo-3-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 250.14 g/mol, XLogP of 3.98, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 22381754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).