1-methyl-1-propylpyrrolidin-1-ium iodide

C8H18IN — CID 12059922

IUPAC1-methyl-1-propylpyrrolidin-1-ium iodide
SMILESCCC[N+]1(C)CCCC1.[I-]
InChIInChI=1S/C8H18N.HI/c1-3-6-9(2)7-4-5-8-9;/h3-8H2,1-2H3;1H/q+1;/p-1
InChIKeyZKYGWUZWEXFLMJ-UHFFFAOYSA-M
MW255.14 g/mol
LogP-1.36
Rot. Bonds2

About 1-methyl-1-propylpyrrolidin-1-ium iodide

1-methyl-1-propylpyrrolidin-1-ium iodide (PubChem CID 12059922) has the molecular formula C8H18IN and a molecular weight of 255.14 g/mol. Its IUPAC name is 1-methyl-1-propylpyrrolidin-1-ium iodide.

Molecular Properties

Compound Name1-methyl-1-propylpyrrolidin-1-ium iodide
PubChem CID12059922
Molecular FormulaC8H18IN
Molecular Weight255.14 g/mol
Exact Mass255.05
IUPAC Name1-methyl-1-propylpyrrolidin-1-ium iodide
SMILESCCC[N+]1(C)CCCC1.[I-]
InChIInChI=1S/C8H18N.HI/c1-3-6-9(2)7-4-5-8-9;/h3-8H2,1-2H3;1H/q+1;/p-1
InChIKeyZKYGWUZWEXFLMJ-UHFFFAOYSA-M
XLogP-1.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 5-1.36
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'}

Analyze 1-methyl-1-propylpyrrolidin-1-ium iodide 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-methyl-1-propylpyrrolidin-1-ium iodide?
The IUPAC name of 1-methyl-1-propylpyrrolidin-1-ium iodide (CID 12059922) is 1-methyl-1-propylpyrrolidin-1-ium iodide.
What is the SMILES notation for 1-methyl-1-propylpyrrolidin-1-ium iodide?
The canonical SMILES for 1-methyl-1-propylpyrrolidin-1-ium iodide is CCC[N+]1(C)CCCC1.[I-].
What is the InChIKey of 1-methyl-1-propylpyrrolidin-1-ium iodide?
The InChIKey is ZKYGWUZWEXFLMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18N.HI/c1-3-6-9(2)7-4-5-8-9;/h3-8H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-1-propylpyrrolidin-1-ium iodide?
1-methyl-1-propylpyrrolidin-1-ium iodide has a molecular weight of 255.14 g/mol, XLogP of -1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-propylpyrrolidin-1-ium iodide is sourced from PubChem (CID 12059922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).