6H-quinolin-6-ylium-2-imine

C9H7N2+ — CID 136697249

IUPAC6H-quinolin-6-ylium-2-imine
SMILES[H]/N=C1\C=CC2=C[CH+]C=CC2=N1
InChIInChI=1S/C9H7N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6,10H/q+1/b10-9+
InChIKeyLSYRDOKJIDGSRL-MDZDMXLPSA-N
MW143.17 g/mol
LogP1.67
Rot. Bonds

About 6H-quinolin-6-ylium-2-imine

6H-quinolin-6-ylium-2-imine (PubChem CID 136697249) has the molecular formula C9H7N2+ and a molecular weight of 143.17 g/mol. Its IUPAC name is 6H-quinolin-6-ylium-2-imine.

Molecular Properties

Compound Name6H-quinolin-6-ylium-2-imine
PubChem CID136697249
Molecular FormulaC9H7N2+
Molecular Weight143.17 g/mol
Exact Mass143.06
IUPAC Name6H-quinolin-6-ylium-2-imine
SMILES[H]/N=C1\C=CC2=C[CH+]C=CC2=N1
InChIInChI=1S/C9H7N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6,10H/q+1/b10-9+
InChIKeyLSYRDOKJIDGSRL-MDZDMXLPSA-N
XLogP1.67
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6H-quinolin-6-ylium-2-imine?
The IUPAC name of 6H-quinolin-6-ylium-2-imine (CID 136697249) is 6H-quinolin-6-ylium-2-imine.
What is the SMILES notation for 6H-quinolin-6-ylium-2-imine?
The canonical SMILES for 6H-quinolin-6-ylium-2-imine is [H]/N=C1\C=CC2=C[CH+]C=CC2=N1.
What is the InChIKey of 6H-quinolin-6-ylium-2-imine?
The InChIKey is LSYRDOKJIDGSRL-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H7N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6,10H/q+1/b10-9+.
What are the key properties of 6H-quinolin-6-ylium-2-imine?
6H-quinolin-6-ylium-2-imine has a molecular weight of 143.17 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-quinolin-6-ylium-2-imine is sourced from PubChem (CID 136697249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).