1,1-dimethylcyclopenta[b]pyridin-1-ium iodide

C10H12IN — CID 18916601

IUPAC1,1-dimethylcyclopenta[b]pyridin-1-ium iodide
SMILESC[N+]1(C)C=CC=C2C=CC=C21.[I-]
InChIInChI=1S/C10H12N.HI/c1-11(2)8-4-6-9-5-3-7-10(9)11;/h3-8H,1-2H3;1H/q+1;/p-1
InChIKeyKGOLQAHIENYKKE-UHFFFAOYSA-M
MW273.12 g/mol
LogP-1.03
Rot. Bonds

About 1,1-dimethylcyclopenta[b]pyridin-1-ium iodide

1,1-dimethylcyclopenta[b]pyridin-1-ium iodide (PubChem CID 18916601) has the molecular formula C10H12IN and a molecular weight of 273.12 g/mol. Its IUPAC name is 1,1-dimethylcyclopenta[b]pyridin-1-ium iodide.

Molecular Properties

Compound Name1,1-dimethylcyclopenta[b]pyridin-1-ium iodide
PubChem CID18916601
Molecular FormulaC10H12IN
Molecular Weight273.12 g/mol
Exact Mass273.00
IUPAC Name1,1-dimethylcyclopenta[b]pyridin-1-ium iodide
SMILESC[N+]1(C)C=CC=C2C=CC=C21.[I-]
InChIInChI=1S/C10H12N.HI/c1-11(2)8-4-6-9-5-3-7-10(9)11;/h3-8H,1-2H3;1H/q+1;/p-1
InChIKeyKGOLQAHIENYKKE-UHFFFAOYSA-M
XLogP-1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclopenta[b]pyridin-1-ium iodide?
The IUPAC name of 1,1-dimethylcyclopenta[b]pyridin-1-ium iodide (CID 18916601) is 1,1-dimethylcyclopenta[b]pyridin-1-ium iodide.
What is the SMILES notation for 1,1-dimethylcyclopenta[b]pyridin-1-ium iodide?
The canonical SMILES for 1,1-dimethylcyclopenta[b]pyridin-1-ium iodide is C[N+]1(C)C=CC=C2C=CC=C21.[I-].
What is the InChIKey of 1,1-dimethylcyclopenta[b]pyridin-1-ium iodide?
The InChIKey is KGOLQAHIENYKKE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N.HI/c1-11(2)8-4-6-9-5-3-7-10(9)11;/h3-8H,1-2H3;1H/q+1;/p-1.
What are the key properties of 1,1-dimethylcyclopenta[b]pyridin-1-ium iodide?
1,1-dimethylcyclopenta[b]pyridin-1-ium iodide has a molecular weight of 273.12 g/mol, XLogP of -1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclopenta[b]pyridin-1-ium iodide is sourced from PubChem (CID 18916601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).