1-ethyl-1-methylpyrrolidin-1-ium iodide

C7H16IN — CID 12059921

IUPAC1-ethyl-1-methylpyrrolidin-1-ium iodide
SMILESCC[N+]1(C)CCCC1.[I-]
InChIInChI=1S/C7H16N.HI/c1-3-8(2)6-4-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1
InChIKeyLBFFBPOOIMGQOV-UHFFFAOYSA-M
MW241.12 g/mol
LogP-1.75
Rot. Bonds1

About 1-ethyl-1-methylpyrrolidin-1-ium iodide

1-ethyl-1-methylpyrrolidin-1-ium iodide (PubChem CID 12059921) has the molecular formula C7H16IN and a molecular weight of 241.12 g/mol. Its IUPAC name is 1-ethyl-1-methylpyrrolidin-1-ium iodide.

Molecular Properties

Compound Name1-ethyl-1-methylpyrrolidin-1-ium iodide
PubChem CID12059921
Molecular FormulaC7H16IN
Molecular Weight241.12 g/mol
Exact Mass241.03
IUPAC Name1-ethyl-1-methylpyrrolidin-1-ium iodide
SMILESCC[N+]1(C)CCCC1.[I-]
InChIInChI=1S/C7H16N.HI/c1-3-8(2)6-4-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1
InChIKeyLBFFBPOOIMGQOV-UHFFFAOYSA-M
XLogP-1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 5-1.75
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-ethyl-1-methylpyrrolidin-1-ium iodide?
The IUPAC name of 1-ethyl-1-methylpyrrolidin-1-ium iodide (CID 12059921) is 1-ethyl-1-methylpyrrolidin-1-ium iodide.
What is the SMILES notation for 1-ethyl-1-methylpyrrolidin-1-ium iodide?
The canonical SMILES for 1-ethyl-1-methylpyrrolidin-1-ium iodide is CC[N+]1(C)CCCC1.[I-].
What is the InChIKey of 1-ethyl-1-methylpyrrolidin-1-ium iodide?
The InChIKey is LBFFBPOOIMGQOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16N.HI/c1-3-8(2)6-4-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-ethyl-1-methylpyrrolidin-1-ium iodide?
1-ethyl-1-methylpyrrolidin-1-ium iodide has a molecular weight of 241.12 g/mol, XLogP of -1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methylpyrrolidin-1-ium iodide is sourced from PubChem (CID 12059921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).