cyclohepta[e]indole

C13H9N — CID 88733765

IUPACcyclohepta[e]indole
SMILESc1ccc2ccc3nccc3c2cc1
InChIInChI=1S/C13H9N/c1-2-4-10-6-7-13-12(8-9-14-13)11(10)5-3-1/h1-9H
InChIKeyGDSCRPGWQTXKAX-UHFFFAOYSA-N
MW179.22 g/mol
LogP3.39
Rot. Bonds

About cyclohepta[e]indole

cyclohepta[e]indole (PubChem CID 88733765) has the molecular formula C13H9N and a molecular weight of 179.22 g/mol. Its IUPAC name is cyclohepta[e]indole.

Molecular Properties

Compound Namecyclohepta[e]indole
PubChem CID88733765
Molecular FormulaC13H9N
Molecular Weight179.22 g/mol
Exact Mass179.07
IUPAC Namecyclohepta[e]indole
SMILESc1ccc2ccc3nccc3c2cc1
InChIInChI=1S/C13H9N/c1-2-4-10-6-7-13-12(8-9-14-13)11(10)5-3-1/h1-9H
InChIKeyGDSCRPGWQTXKAX-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohepta[e]indole?
The IUPAC name of cyclohepta[e]indole (CID 88733765) is cyclohepta[e]indole.
What is the SMILES notation for cyclohepta[e]indole?
The canonical SMILES for cyclohepta[e]indole is c1ccc2ccc3nccc3c2cc1.
What is the InChIKey of cyclohepta[e]indole?
The InChIKey is GDSCRPGWQTXKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N/c1-2-4-10-6-7-13-12(8-9-14-13)11(10)5-3-1/h1-9H.
What are the key properties of cyclohepta[e]indole?
cyclohepta[e]indole has a molecular weight of 179.22 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[e]indole is sourced from PubChem (CID 88733765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).