1-(methoxymethyl)-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium

C12H24NO2+ — CID 67090653

IUPAC1-(methoxymethyl)-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium
SMILESC=C(C)COCC[N+]1(COC)CCCC1
InChIInChI=1S/C12H24NO2/c1-12(2)10-15-9-8-13(11-14-3)6-4-5-7-13/h1,4-11H2,2-3H3/q+1
InChIKeyPAMWHTUTSPLACH-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.79
Rot. Bonds7

About 1-(methoxymethyl)-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium

1-(methoxymethyl)-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium (PubChem CID 67090653) has the molecular formula C12H24NO2+ and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-(methoxymethyl)-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium.

Molecular Properties

Compound Name1-(methoxymethyl)-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium
PubChem CID67090653
Molecular FormulaC12H24NO2+
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name1-(methoxymethyl)-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium
SMILESC=C(C)COCC[N+]1(COC)CCCC1
InChIInChI=1S/C12H24NO2/c1-12(2)10-15-9-8-13(11-14-3)6-4-5-7-13/h1,4-11H2,2-3H3/q+1
InChIKeyPAMWHTUTSPLACH-UHFFFAOYSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium?
The IUPAC name of 1-(methoxymethyl)-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium (CID 67090653) is 1-(methoxymethyl)-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium.
What is the SMILES notation for 1-(methoxymethyl)-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium?
The canonical SMILES for 1-(methoxymethyl)-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium is C=C(C)COCC[N+]1(COC)CCCC1.
What is the InChIKey of 1-(methoxymethyl)-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium?
The InChIKey is PAMWHTUTSPLACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO2/c1-12(2)10-15-9-8-13(11-14-3)6-4-5-7-13/h1,4-11H2,2-3H3/q+1.
What are the key properties of 1-(methoxymethyl)-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium?
1-(methoxymethyl)-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium has a molecular weight of 214.33 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium is sourced from PubChem (CID 67090653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).