1-(methoxymethyl)-1-methylpyrrolidin-1-ium iodide

C7H16INO — CID 23116030

IUPAC1-(methoxymethyl)-1-methylpyrrolidin-1-ium iodide
SMILESCOC[N+]1(C)CCCC1.[I-]
InChIInChI=1S/C7H16NO.HI/c1-8(7-9-2)5-3-4-6-8;/h3-7H2,1-2H3;1H/q+1;/p-1
InChIKeyNPTOKKLDWIQQLU-UHFFFAOYSA-M
MW257.11 g/mol
LogP-2.17
Rot. Bonds2

About 1-(methoxymethyl)-1-methylpyrrolidin-1-ium iodide

1-(methoxymethyl)-1-methylpyrrolidin-1-ium iodide (PubChem CID 23116030) has the molecular formula C7H16INO and a molecular weight of 257.11 g/mol. Its IUPAC name is 1-(methoxymethyl)-1-methylpyrrolidin-1-ium iodide.

Molecular Properties

Compound Name1-(methoxymethyl)-1-methylpyrrolidin-1-ium iodide
PubChem CID23116030
Molecular FormulaC7H16INO
Molecular Weight257.11 g/mol
Exact Mass257.03
IUPAC Name1-(methoxymethyl)-1-methylpyrrolidin-1-ium iodide
SMILESCOC[N+]1(C)CCCC1.[I-]
InChIInChI=1S/C7H16NO.HI/c1-8(7-9-2)5-3-4-6-8;/h3-7H2,1-2H3;1H/q+1;/p-1
InChIKeyNPTOKKLDWIQQLU-UHFFFAOYSA-M
XLogP-2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 5-2.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(methoxymethyl)-1-methylpyrrolidin-1-ium iodide?
The IUPAC name of 1-(methoxymethyl)-1-methylpyrrolidin-1-ium iodide (CID 23116030) is 1-(methoxymethyl)-1-methylpyrrolidin-1-ium iodide.
What is the SMILES notation for 1-(methoxymethyl)-1-methylpyrrolidin-1-ium iodide?
The canonical SMILES for 1-(methoxymethyl)-1-methylpyrrolidin-1-ium iodide is COC[N+]1(C)CCCC1.[I-].
What is the InChIKey of 1-(methoxymethyl)-1-methylpyrrolidin-1-ium iodide?
The InChIKey is NPTOKKLDWIQQLU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16NO.HI/c1-8(7-9-2)5-3-4-6-8;/h3-7H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-(methoxymethyl)-1-methylpyrrolidin-1-ium iodide?
1-(methoxymethyl)-1-methylpyrrolidin-1-ium iodide has a molecular weight of 257.11 g/mol, XLogP of -2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-1-methylpyrrolidin-1-ium iodide is sourced from PubChem (CID 23116030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).