4-methyl-4-prop-2-enylmorpholin-4-ium

C8H16NO+ — CID 18617911

IUPAC4-methyl-4-prop-2-enylmorpholin-4-ium
SMILESC=CC[N+]1(C)CCOCC1
InChIInChI=1S/C8H16NO/c1-3-4-9(2)5-7-10-8-6-9/h3H,1,4-8H2,2H3/q+1
InChIKeyMVOUIAFFSWCYGP-UHFFFAOYSA-N
MW142.22 g/mol
LogP0.65
Rot. Bonds2

About 4-methyl-4-prop-2-enylmorpholin-4-ium

4-methyl-4-prop-2-enylmorpholin-4-ium (PubChem CID 18617911) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is 4-methyl-4-prop-2-enylmorpholin-4-ium.

Molecular Properties

Compound Name4-methyl-4-prop-2-enylmorpholin-4-ium
PubChem CID18617911
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name4-methyl-4-prop-2-enylmorpholin-4-ium
SMILESC=CC[N+]1(C)CCOCC1
InChIInChI=1S/C8H16NO/c1-3-4-9(2)5-7-10-8-6-9/h3H,1,4-8H2,2H3/q+1
InChIKeyMVOUIAFFSWCYGP-UHFFFAOYSA-N
XLogP0.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 50.65
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'}

Analyze 4-methyl-4-prop-2-enylmorpholin-4-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 4-methyl-4-prop-2-enylmorpholin-4-ium?
The IUPAC name of 4-methyl-4-prop-2-enylmorpholin-4-ium (CID 18617911) is 4-methyl-4-prop-2-enylmorpholin-4-ium.
What is the SMILES notation for 4-methyl-4-prop-2-enylmorpholin-4-ium?
The canonical SMILES for 4-methyl-4-prop-2-enylmorpholin-4-ium is C=CC[N+]1(C)CCOCC1.
What is the InChIKey of 4-methyl-4-prop-2-enylmorpholin-4-ium?
The InChIKey is MVOUIAFFSWCYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO/c1-3-4-9(2)5-7-10-8-6-9/h3H,1,4-8H2,2H3/q+1.
What are the key properties of 4-methyl-4-prop-2-enylmorpholin-4-ium?
4-methyl-4-prop-2-enylmorpholin-4-ium has a molecular weight of 142.22 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-prop-2-enylmorpholin-4-ium is sourced from PubChem (CID 18617911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).