7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole

C12H12BrN — CID 59267735

IUPAC7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole
SMILESCn1c2c(c3cc(Br)ccc31)CCC2
InChIInChI=1S/C12H12BrN/c1-14-11-4-2-3-9(11)10-7-8(13)5-6-12(10)14/h5-7H,2-4H2,1H3
InChIKeyADQGYSUCBGFESH-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.43
Rot. Bonds

About 7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole

7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole (PubChem CID 59267735) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole.

Molecular Properties

Compound Name7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole
PubChem CID59267735
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole
SMILESCn1c2c(c3cc(Br)ccc31)CCC2
InChIInChI=1S/C12H12BrN/c1-14-11-4-2-3-9(11)10-7-8(13)5-6-12(10)14/h5-7H,2-4H2,1H3
InChIKeyADQGYSUCBGFESH-UHFFFAOYSA-N
XLogP3.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole?
The IUPAC name of 7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole (CID 59267735) is 7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole.
What is the SMILES notation for 7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole?
The canonical SMILES for 7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole is Cn1c2c(c3cc(Br)ccc31)CCC2.
What is the InChIKey of 7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole?
The InChIKey is ADQGYSUCBGFESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-14-11-4-2-3-9(11)10-7-8(13)5-6-12(10)14/h5-7H,2-4H2,1H3.
What are the key properties of 7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole?
7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole has a molecular weight of 250.14 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole is sourced from PubChem (CID 59267735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).