4-(2-methoxyprop-2-enyl)-4-methylmorpholin-4-ium

C9H18NO2+ — CID 58053075

IUPAC4-(2-methoxyprop-2-enyl)-4-methylmorpholin-4-ium
SMILESC=C(C[N+]1(C)CCOCC1)OC
InChIInChI=1S/C9H18NO2/c1-9(11-3)8-10(2)4-6-12-7-5-10/h1,4-8H2,2-3H3/q+1
InChIKeyFIOFQPUIUGFBRT-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.62
Rot. Bonds3

About 4-(2-methoxyprop-2-enyl)-4-methylmorpholin-4-ium

4-(2-methoxyprop-2-enyl)-4-methylmorpholin-4-ium (PubChem CID 58053075) has the molecular formula C9H18NO2+ and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-(2-methoxyprop-2-enyl)-4-methylmorpholin-4-ium.

Molecular Properties

Compound Name4-(2-methoxyprop-2-enyl)-4-methylmorpholin-4-ium
PubChem CID58053075
Molecular FormulaC9H18NO2+
Molecular Weight172.25 g/mol
Exact Mass172.13
IUPAC Name4-(2-methoxyprop-2-enyl)-4-methylmorpholin-4-ium
SMILESC=C(C[N+]1(C)CCOCC1)OC
InChIInChI=1S/C9H18NO2/c1-9(11-3)8-10(2)4-6-12-7-5-10/h1,4-8H2,2-3H3/q+1
InChIKeyFIOFQPUIUGFBRT-UHFFFAOYSA-N
XLogP0.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyprop-2-enyl)-4-methylmorpholin-4-ium?
The IUPAC name of 4-(2-methoxyprop-2-enyl)-4-methylmorpholin-4-ium (CID 58053075) is 4-(2-methoxyprop-2-enyl)-4-methylmorpholin-4-ium.
What is the SMILES notation for 4-(2-methoxyprop-2-enyl)-4-methylmorpholin-4-ium?
The canonical SMILES for 4-(2-methoxyprop-2-enyl)-4-methylmorpholin-4-ium is C=C(C[N+]1(C)CCOCC1)OC.
What is the InChIKey of 4-(2-methoxyprop-2-enyl)-4-methylmorpholin-4-ium?
The InChIKey is FIOFQPUIUGFBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO2/c1-9(11-3)8-10(2)4-6-12-7-5-10/h1,4-8H2,2-3H3/q+1.
What are the key properties of 4-(2-methoxyprop-2-enyl)-4-methylmorpholin-4-ium?
4-(2-methoxyprop-2-enyl)-4-methylmorpholin-4-ium has a molecular weight of 172.25 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyprop-2-enyl)-4-methylmorpholin-4-ium is sourced from PubChem (CID 58053075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).