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

C7H16NO+ — CID 20775240

IUPAC1-(methoxymethyl)-1-methylpyrrolidin-1-ium
SMILESCOC[N+]1(C)CCCC1
InChIInChI=1S/C7H16NO/c1-8(7-9-2)5-3-4-6-8/h3-7H2,1-2H3/q+1
InChIKeyKOCWJEWXPJKXHS-UHFFFAOYSA-N
MW130.21 g/mol
LogP0.83
Rot. Bonds2

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

1-(methoxymethyl)-1-methylpyrrolidin-1-ium (PubChem CID 20775240) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is 1-(methoxymethyl)-1-methylpyrrolidin-1-ium.

Molecular Properties

Compound Name1-(methoxymethyl)-1-methylpyrrolidin-1-ium
PubChem CID20775240
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name1-(methoxymethyl)-1-methylpyrrolidin-1-ium
SMILESCOC[N+]1(C)CCCC1
InChIInChI=1S/C7H16NO/c1-8(7-9-2)5-3-4-6-8/h3-7H2,1-2H3/q+1
InChIKeyKOCWJEWXPJKXHS-UHFFFAOYSA-N
XLogP0.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(methoxymethyl)-1-methylpyrrolidin-1-ium 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-(methoxymethyl)-1-methylpyrrolidin-1-ium?
The IUPAC name of 1-(methoxymethyl)-1-methylpyrrolidin-1-ium (CID 20775240) is 1-(methoxymethyl)-1-methylpyrrolidin-1-ium.
What is the SMILES notation for 1-(methoxymethyl)-1-methylpyrrolidin-1-ium?
The canonical SMILES for 1-(methoxymethyl)-1-methylpyrrolidin-1-ium is COC[N+]1(C)CCCC1.
What is the InChIKey of 1-(methoxymethyl)-1-methylpyrrolidin-1-ium?
The InChIKey is KOCWJEWXPJKXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO/c1-8(7-9-2)5-3-4-6-8/h3-7H2,1-2H3/q+1.
What are the key properties of 1-(methoxymethyl)-1-methylpyrrolidin-1-ium?
1-(methoxymethyl)-1-methylpyrrolidin-1-ium has a molecular weight of 130.21 g/mol, XLogP of 0.83, 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 is sourced from PubChem (CID 20775240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).