2,3-dihydroquinolin-1-ium

C9H10N+ — CID 23126746

IUPAC2,3-dihydroquinolin-1-ium
SMILESC1=c2ccccc2=[NH+]CC1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4-6H,3,7H2/p+1
InChIKeyALDYFKCYVAOMJY-UHFFFAOYSA-O
MW132.19 g/mol
LogP-1.43
Rot. Bonds

About 2,3-dihydroquinolin-1-ium

2,3-dihydroquinolin-1-ium (PubChem CID 23126746) has the molecular formula C9H10N+ and a molecular weight of 132.19 g/mol. Its IUPAC name is 2,3-dihydroquinolin-1-ium.

Molecular Properties

Compound Name2,3-dihydroquinolin-1-ium
PubChem CID23126746
Molecular FormulaC9H10N+
Molecular Weight132.19 g/mol
Exact Mass132.08
IUPAC Name2,3-dihydroquinolin-1-ium
SMILESC1=c2ccccc2=[NH+]CC1
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4-6H,3,7H2/p+1
InChIKeyALDYFKCYVAOMJY-UHFFFAOYSA-O
XLogP-1.43
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroquinolin-1-ium?
The IUPAC name of 2,3-dihydroquinolin-1-ium (CID 23126746) is 2,3-dihydroquinolin-1-ium.
What is the SMILES notation for 2,3-dihydroquinolin-1-ium?
The canonical SMILES for 2,3-dihydroquinolin-1-ium is C1=c2ccccc2=[NH+]CC1.
What is the InChIKey of 2,3-dihydroquinolin-1-ium?
The InChIKey is ALDYFKCYVAOMJY-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4-6H,3,7H2/p+1.
What are the key properties of 2,3-dihydroquinolin-1-ium?
2,3-dihydroquinolin-1-ium has a molecular weight of 132.19 g/mol, XLogP of -1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroquinolin-1-ium is sourced from PubChem (CID 23126746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).