hydron;5H-indole

C8H8N+ — CID 174834938

IUPAChydron;5H-indole
SMILESC1=CC2=NC=CC2=CC1.[H+]
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h2-6H,1H2/p+1
InChIKeyJENCSXHYAOKYPH-UHFFFAOYSA-O
MW118.16 g/mol
LogP1.95
Rot. Bonds

About hydron;5H-indole

hydron;5H-indole (PubChem CID 174834938) has the molecular formula C8H8N+ and a molecular weight of 118.16 g/mol. Its IUPAC name is hydron;5H-indole.

Molecular Properties

Compound Namehydron;5H-indole
PubChem CID174834938
Molecular FormulaC8H8N+
Molecular Weight118.16 g/mol
Exact Mass118.07
IUPAC Namehydron;5H-indole
SMILESC1=CC2=NC=CC2=CC1.[H+]
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h2-6H,1H2/p+1
InChIKeyJENCSXHYAOKYPH-UHFFFAOYSA-O
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of hydron;5H-indole?
The IUPAC name of hydron;5H-indole (CID 174834938) is hydron;5H-indole.
What is the SMILES notation for hydron;5H-indole?
The canonical SMILES for hydron;5H-indole is C1=CC2=NC=CC2=CC1.[H+].
What is the InChIKey of hydron;5H-indole?
The InChIKey is JENCSXHYAOKYPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h2-6H,1H2/p+1.
What are the key properties of hydron;5H-indole?
hydron;5H-indole has a molecular weight of 118.16 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;5H-indole is sourced from PubChem (CID 174834938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).