1H-indole;dihydrochloride

C8H9Cl2N — CID 18796541

IUPAC1H-indole;dihydrochloride
SMILESCl.Cl.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.2ClH/c1-2-4-8-7(3-1)5-6-9-8;;/h1-6,9H;2*1H
InChIKeyIPONLHAIQBCUCY-UHFFFAOYSA-N
MW190.07 g/mol
LogP3.01
Rot. Bonds

About 1H-indole;dihydrochloride

1H-indole;dihydrochloride (PubChem CID 18796541) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is 1H-indole;dihydrochloride.

Molecular Properties

Compound Name1H-indole;dihydrochloride
PubChem CID18796541
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name1H-indole;dihydrochloride
SMILESCl.Cl.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.2ClH/c1-2-4-8-7(3-1)5-6-9-8;;/h1-6,9H;2*1H
InChIKeyIPONLHAIQBCUCY-UHFFFAOYSA-N
XLogP3.01
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1H-indole;dihydrochloride?
The IUPAC name of 1H-indole;dihydrochloride (CID 18796541) is 1H-indole;dihydrochloride.
What is the SMILES notation for 1H-indole;dihydrochloride?
The canonical SMILES for 1H-indole;dihydrochloride is Cl.Cl.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;dihydrochloride?
The InChIKey is IPONLHAIQBCUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.2ClH/c1-2-4-8-7(3-1)5-6-9-8;;/h1-6,9H;2*1H.
What are the key properties of 1H-indole;dihydrochloride?
1H-indole;dihydrochloride has a molecular weight of 190.07 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;dihydrochloride is sourced from PubChem (CID 18796541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).