6-methyl-2,3,4,4a-tetrahydroquinolin-1-ium

C10H14N+ — CID 173058285

IUPAC6-methyl-2,3,4,4a-tetrahydroquinolin-1-ium
SMILESCC1=CC2CCC[NH+]=C2C=C1
InChIInChI=1S/C10H13N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7,9H,2-3,6H2,1H3/p+1
InChIKeyHBVOIJFVWAHESF-UHFFFAOYSA-O
MW148.23 g/mol
LogP0.43
Rot. Bonds

About 6-methyl-2,3,4,4a-tetrahydroquinolin-1-ium

6-methyl-2,3,4,4a-tetrahydroquinolin-1-ium (PubChem CID 173058285) has the molecular formula C10H14N+ and a molecular weight of 148.23 g/mol. Its IUPAC name is 6-methyl-2,3,4,4a-tetrahydroquinolin-1-ium.

Molecular Properties

Compound Name6-methyl-2,3,4,4a-tetrahydroquinolin-1-ium
PubChem CID173058285
Molecular FormulaC10H14N+
Molecular Weight148.23 g/mol
Exact Mass148.11
IUPAC Name6-methyl-2,3,4,4a-tetrahydroquinolin-1-ium
SMILESCC1=CC2CCC[NH+]=C2C=C1
InChIInChI=1S/C10H13N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7,9H,2-3,6H2,1H3/p+1
InChIKeyHBVOIJFVWAHESF-UHFFFAOYSA-O
XLogP0.43
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,4,4a-tetrahydroquinolin-1-ium?
The IUPAC name of 6-methyl-2,3,4,4a-tetrahydroquinolin-1-ium (CID 173058285) is 6-methyl-2,3,4,4a-tetrahydroquinolin-1-ium.
What is the SMILES notation for 6-methyl-2,3,4,4a-tetrahydroquinolin-1-ium?
The canonical SMILES for 6-methyl-2,3,4,4a-tetrahydroquinolin-1-ium is CC1=CC2CCC[NH+]=C2C=C1.
What is the InChIKey of 6-methyl-2,3,4,4a-tetrahydroquinolin-1-ium?
The InChIKey is HBVOIJFVWAHESF-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7,9H,2-3,6H2,1H3/p+1.
What are the key properties of 6-methyl-2,3,4,4a-tetrahydroquinolin-1-ium?
6-methyl-2,3,4,4a-tetrahydroquinolin-1-ium has a molecular weight of 148.23 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,4a-tetrahydroquinolin-1-ium is sourced from PubChem (CID 173058285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).