9-methyl-8aH-carbazol-9-ium

C13H12N+ — CID 123210854

IUPAC9-methyl-8aH-carbazol-9-ium
SMILESC[N+]1=c2ccccc2=C2C=CC=CC21
InChIInChI=1S/C13H12N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9,12H,1H3/q+1
InChIKeyZCQYFLOHFLPUKS-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.47
Rot. Bonds

About 9-methyl-8aH-carbazol-9-ium

9-methyl-8aH-carbazol-9-ium (PubChem CID 123210854) has the molecular formula C13H12N+ and a molecular weight of 182.25 g/mol. Its IUPAC name is 9-methyl-8aH-carbazol-9-ium.

Molecular Properties

Compound Name9-methyl-8aH-carbazol-9-ium
PubChem CID123210854
Molecular FormulaC13H12N+
Molecular Weight182.25 g/mol
Exact Mass182.10
IUPAC Name9-methyl-8aH-carbazol-9-ium
SMILESC[N+]1=c2ccccc2=C2C=CC=CC21
InChIInChI=1S/C13H12N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9,12H,1H3/q+1
InChIKeyZCQYFLOHFLPUKS-UHFFFAOYSA-N
XLogP0.47
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-8aH-carbazol-9-ium?
The IUPAC name of 9-methyl-8aH-carbazol-9-ium (CID 123210854) is 9-methyl-8aH-carbazol-9-ium.
What is the SMILES notation for 9-methyl-8aH-carbazol-9-ium?
The canonical SMILES for 9-methyl-8aH-carbazol-9-ium is C[N+]1=c2ccccc2=C2C=CC=CC21.
What is the InChIKey of 9-methyl-8aH-carbazol-9-ium?
The InChIKey is ZCQYFLOHFLPUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9,12H,1H3/q+1.
What are the key properties of 9-methyl-8aH-carbazol-9-ium?
9-methyl-8aH-carbazol-9-ium has a molecular weight of 182.25 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-8aH-carbazol-9-ium is sourced from PubChem (CID 123210854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).