4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium

C9H18NO+ — CID 23062109

IUPAC4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium
SMILESC=C(C)C[N+]1(C)CCOCC1
InChIInChI=1S/C9H18NO/c1-9(2)8-10(3)4-6-11-7-5-10/h1,4-8H2,2-3H3/q+1
InChIKeyJLZIQLCEXMXZHJ-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.04
Rot. Bonds2

About 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium

4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium (PubChem CID 23062109) has the molecular formula C9H18NO+ and a molecular weight of 156.25 g/mol. Its IUPAC name is 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium.

Molecular Properties

Compound Name4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium
PubChem CID23062109
Molecular FormulaC9H18NO+
Molecular Weight156.25 g/mol
Exact Mass156.14
IUPAC Name4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium
SMILESC=C(C)C[N+]1(C)CCOCC1
InChIInChI=1S/C9H18NO/c1-9(2)8-10(3)4-6-11-7-5-10/h1,4-8H2,2-3H3/q+1
InChIKeyJLZIQLCEXMXZHJ-UHFFFAOYSA-N
XLogP1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium?
The IUPAC name of 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium (CID 23062109) is 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium.
What is the SMILES notation for 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium?
The canonical SMILES for 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium is C=C(C)C[N+]1(C)CCOCC1.
What is the InChIKey of 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium?
The InChIKey is JLZIQLCEXMXZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO/c1-9(2)8-10(3)4-6-11-7-5-10/h1,4-8H2,2-3H3/q+1.
What are the key properties of 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium?
4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium has a molecular weight of 156.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-methylprop-2-enyl)morpholin-4-ium is sourced from PubChem (CID 23062109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).