7-bromo-1,1,2-trimethylbenzo[e]indole

C15H14BrN — CID 27281663

IUPAC7-bromo-1,1,2-trimethylbenzo[e]indole
SMILESCC1=Nc2ccc3cc(Br)ccc3c2C1(C)C
InChIInChI=1S/C15H14BrN/c1-9-15(2,3)14-12-6-5-11(16)8-10(12)4-7-13(14)17-9/h4-8H,1-3H3
InChIKeyOJKFWXNRBKESAI-UHFFFAOYSA-N
MW288.19 g/mol
LogP4.99
Rot. Bonds

About 7-bromo-1,1,2-trimethylbenzo[e]indole

7-bromo-1,1,2-trimethylbenzo[e]indole (PubChem CID 27281663) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is 7-bromo-1,1,2-trimethylbenzo[e]indole.

Molecular Properties

Compound Name7-bromo-1,1,2-trimethylbenzo[e]indole
PubChem CID27281663
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name7-bromo-1,1,2-trimethylbenzo[e]indole
SMILESCC1=Nc2ccc3cc(Br)ccc3c2C1(C)C
InChIInChI=1S/C15H14BrN/c1-9-15(2,3)14-12-6-5-11(16)8-10(12)4-7-13(14)17-9/h4-8H,1-3H3
InChIKeyOJKFWXNRBKESAI-UHFFFAOYSA-N
XLogP4.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,1,2-trimethylbenzo[e]indole?
The IUPAC name of 7-bromo-1,1,2-trimethylbenzo[e]indole (CID 27281663) is 7-bromo-1,1,2-trimethylbenzo[e]indole.
What is the SMILES notation for 7-bromo-1,1,2-trimethylbenzo[e]indole?
The canonical SMILES for 7-bromo-1,1,2-trimethylbenzo[e]indole is CC1=Nc2ccc3cc(Br)ccc3c2C1(C)C.
What is the InChIKey of 7-bromo-1,1,2-trimethylbenzo[e]indole?
The InChIKey is OJKFWXNRBKESAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN/c1-9-15(2,3)14-12-6-5-11(16)8-10(12)4-7-13(14)17-9/h4-8H,1-3H3.
What are the key properties of 7-bromo-1,1,2-trimethylbenzo[e]indole?
7-bromo-1,1,2-trimethylbenzo[e]indole has a molecular weight of 288.19 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,1,2-trimethylbenzo[e]indole is sourced from PubChem (CID 27281663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).