3-propyl-2,3-dihydroquinolin-1-ium

C12H16N+ — CID 163828726

IUPAC3-propyl-2,3-dihydroquinolin-1-ium
SMILESCCCC1C=c2ccccc2=[NH+]C1
InChIInChI=1S/C12H15N/c1-2-5-10-8-11-6-3-4-7-12(11)13-9-10/h3-4,6-8,10H,2,5,9H2,1H3/p+1
InChIKeyOBUWXEDDIABWPM-UHFFFAOYSA-O
MW174.27 g/mol
LogP-0.40
Rot. Bonds2

About 3-propyl-2,3-dihydroquinolin-1-ium

3-propyl-2,3-dihydroquinolin-1-ium (PubChem CID 163828726) has the molecular formula C12H16N+ and a molecular weight of 174.27 g/mol. Its IUPAC name is 3-propyl-2,3-dihydroquinolin-1-ium.

Molecular Properties

Compound Name3-propyl-2,3-dihydroquinolin-1-ium
PubChem CID163828726
Molecular FormulaC12H16N+
Molecular Weight174.27 g/mol
Exact Mass174.13
IUPAC Name3-propyl-2,3-dihydroquinolin-1-ium
SMILESCCCC1C=c2ccccc2=[NH+]C1
InChIInChI=1S/C12H15N/c1-2-5-10-8-11-6-3-4-7-12(11)13-9-10/h3-4,6-8,10H,2,5,9H2,1H3/p+1
InChIKeyOBUWXEDDIABWPM-UHFFFAOYSA-O
XLogP-0.40
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-2,3-dihydroquinolin-1-ium?
The IUPAC name of 3-propyl-2,3-dihydroquinolin-1-ium (CID 163828726) is 3-propyl-2,3-dihydroquinolin-1-ium.
What is the SMILES notation for 3-propyl-2,3-dihydroquinolin-1-ium?
The canonical SMILES for 3-propyl-2,3-dihydroquinolin-1-ium is CCCC1C=c2ccccc2=[NH+]C1.
What is the InChIKey of 3-propyl-2,3-dihydroquinolin-1-ium?
The InChIKey is OBUWXEDDIABWPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15N/c1-2-5-10-8-11-6-3-4-7-12(11)13-9-10/h3-4,6-8,10H,2,5,9H2,1H3/p+1.
What are the key properties of 3-propyl-2,3-dihydroquinolin-1-ium?
3-propyl-2,3-dihydroquinolin-1-ium has a molecular weight of 174.27 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2,3-dihydroquinolin-1-ium is sourced from PubChem (CID 163828726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).