2,4-dihydro-1H-quinolin-2-ylium

C9H8N+ — CID 88674389

IUPAC2,4-dihydro-1H-quinolin-2-ylium
SMILES[C+]1=CCc2ccccc2N1
InChIInChI=1S/C9H8N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-4,6,10H,5H2/q+1
InChIKeyWYYRZXVFXRUJCB-UHFFFAOYSA-N
MW130.17 g/mol
LogP1.97
Rot. Bonds

About 2,4-dihydro-1H-quinolin-2-ylium

2,4-dihydro-1H-quinolin-2-ylium (PubChem CID 88674389) has the molecular formula C9H8N+ and a molecular weight of 130.17 g/mol. Its IUPAC name is 2,4-dihydro-1H-quinolin-2-ylium.

Molecular Properties

Compound Name2,4-dihydro-1H-quinolin-2-ylium
PubChem CID88674389
Molecular FormulaC9H8N+
Molecular Weight130.17 g/mol
Exact Mass130.07
IUPAC Name2,4-dihydro-1H-quinolin-2-ylium
SMILES[C+]1=CCc2ccccc2N1
InChIInChI=1S/C9H8N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-4,6,10H,5H2/q+1
InChIKeyWYYRZXVFXRUJCB-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-1H-quinolin-2-ylium?
The IUPAC name of 2,4-dihydro-1H-quinolin-2-ylium (CID 88674389) is 2,4-dihydro-1H-quinolin-2-ylium.
What is the SMILES notation for 2,4-dihydro-1H-quinolin-2-ylium?
The canonical SMILES for 2,4-dihydro-1H-quinolin-2-ylium is [C+]1=CCc2ccccc2N1.
What is the InChIKey of 2,4-dihydro-1H-quinolin-2-ylium?
The InChIKey is WYYRZXVFXRUJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-4,6,10H,5H2/q+1.
What are the key properties of 2,4-dihydro-1H-quinolin-2-ylium?
2,4-dihydro-1H-quinolin-2-ylium has a molecular weight of 130.17 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydro-1H-quinolin-2-ylium is sourced from PubChem (CID 88674389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).