1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene

C10H14N+ — CID 123788623

IUPAC1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene
SMILESC/C1=[N+](\C)C=CCC=C=CC1
InChIInChI=1S/C10H14N/c1-10-8-6-4-3-5-7-9-11(10)2/h3,6-7,9H,5,8H2,1-2H3/q+1/b9-7?,11-10-
InChIKeyJLOPZZTXPILMCE-GRISIXQJSA-N
MW148.23 g/mol
LogP2.11
Rot. Bonds

About 1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene

1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene (PubChem CID 123788623) has the molecular formula C10H14N+ and a molecular weight of 148.23 g/mol. Its IUPAC name is 1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene.

Molecular Properties

Compound Name1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene
PubChem CID123788623
Molecular FormulaC10H14N+
Molecular Weight148.23 g/mol
Exact Mass148.11
IUPAC Name1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene
SMILESC/C1=[N+](\C)C=CCC=C=CC1
InChIInChI=1S/C10H14N/c1-10-8-6-4-3-5-7-9-11(10)2/h3,6-7,9H,5,8H2,1-2H3/q+1/b9-7?,11-10-
InChIKeyJLOPZZTXPILMCE-GRISIXQJSA-N
XLogP2.11
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene?
The IUPAC name of 1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene (CID 123788623) is 1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene.
What is the SMILES notation for 1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene?
The canonical SMILES for 1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene is C/C1=[N+](\C)C=CCC=C=CC1.
What is the InChIKey of 1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene?
The InChIKey is JLOPZZTXPILMCE-GRISIXQJSA-N. The full InChI is InChI=1S/C10H14N/c1-10-8-6-4-3-5-7-9-11(10)2/h3,6-7,9H,5,8H2,1-2H3/q+1/b9-7?,11-10-.
What are the key properties of 1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene?
1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene has a molecular weight of 148.23 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-azoniacyclonona-1,4,5,8-tetraene is sourced from PubChem (CID 123788623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).