hydron;5H-quinolin-1-ium-5-ide

C9H6N+ — CID 102350621

IUPAChydron;5H-quinolin-1-ium-5-ide
SMILESC1=C[C-]=C2C=CC=[N+]=C2C=1.[H+]
InChIInChI=1S/C9H5N/c1-2-6-9-8(4-1)5-3-7-10-9/h1,3,5-7H/p+1
InChIKeyYRRKMQKMHZUQMU-UHFFFAOYSA-O
MW128.15 g/mol
LogP0.70
Rot. Bonds

About hydron;5H-quinolin-1-ium-5-ide

hydron;5H-quinolin-1-ium-5-ide (PubChem CID 102350621) has the molecular formula C9H6N+ and a molecular weight of 128.15 g/mol. Its IUPAC name is hydron;5H-quinolin-1-ium-5-ide.

Molecular Properties

Compound Namehydron;5H-quinolin-1-ium-5-ide
PubChem CID102350621
Molecular FormulaC9H6N+
Molecular Weight128.15 g/mol
Exact Mass128.05
IUPAC Namehydron;5H-quinolin-1-ium-5-ide
SMILESC1=C[C-]=C2C=CC=[N+]=C2C=1.[H+]
InChIInChI=1S/C9H5N/c1-2-6-9-8(4-1)5-3-7-10-9/h1,3,5-7H/p+1
InChIKeyYRRKMQKMHZUQMU-UHFFFAOYSA-O
XLogP0.70
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Tetrahydroquinoline
CID 94356
8-Lithioquinoline
CID 12575023
Quinoline-3-thione
CID 13507522
2H-1,4-Benzodiazepine
CID 21162934
3h-Quinoline
CID 22027752
Dibenz[b,f]azocine
CID 23633137
3-Methanidylidenepyridin-1-ium
CID 59909632
6h,7h-Quinoline
CID 67835501
4-Methyl-2,3-dihydroquinoline
CID 68274032
7-Fluoro-2,3-dihydroquinoline
CID 151940112
2-Fluoro-2,3-dihydroquinoline
CID 152083894
6-Fluoro-2,6-dihydroquinoline
CID 173531805

Frequently Asked Questions

What is the IUPAC name of hydron;5H-quinolin-1-ium-5-ide?
The IUPAC name of hydron;5H-quinolin-1-ium-5-ide (CID 102350621) is hydron;5H-quinolin-1-ium-5-ide.
What is the SMILES notation for hydron;5H-quinolin-1-ium-5-ide?
The canonical SMILES for hydron;5H-quinolin-1-ium-5-ide is C1=C[C-]=C2C=CC=[N+]=C2C=1.[H+].
What is the InChIKey of hydron;5H-quinolin-1-ium-5-ide?
The InChIKey is YRRKMQKMHZUQMU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H5N/c1-2-6-9-8(4-1)5-3-7-10-9/h1,3,5-7H/p+1.
What are the key properties of hydron;5H-quinolin-1-ium-5-ide?
hydron;5H-quinolin-1-ium-5-ide has a molecular weight of 128.15 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;5H-quinolin-1-ium-5-ide is sourced from PubChem (CID 102350621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).