4-methyl-4-prop-1-en-2-ylmorpholin-4-ium

C8H16NO+ — CID 123581780

IUPAC4-methyl-4-prop-1-en-2-ylmorpholin-4-ium
SMILESC=C(C)[N+]1(C)CCOCC1
InChIInChI=1S/C8H16NO/c1-8(2)9(3)4-6-10-7-5-9/h1,4-7H2,2-3H3/q+1
InChIKeyRKOYSVBWPROARC-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.00
Rot. Bonds1

About 4-methyl-4-prop-1-en-2-ylmorpholin-4-ium

4-methyl-4-prop-1-en-2-ylmorpholin-4-ium (PubChem CID 123581780) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is 4-methyl-4-prop-1-en-2-ylmorpholin-4-ium.

Molecular Properties

Compound Name4-methyl-4-prop-1-en-2-ylmorpholin-4-ium
PubChem CID123581780
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name4-methyl-4-prop-1-en-2-ylmorpholin-4-ium
SMILESC=C(C)[N+]1(C)CCOCC1
InChIInChI=1S/C8H16NO/c1-8(2)9(3)4-6-10-7-5-9/h1,4-7H2,2-3H3/q+1
InChIKeyRKOYSVBWPROARC-UHFFFAOYSA-N
XLogP1.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-prop-1-en-2-ylmorpholin-4-ium?
The IUPAC name of 4-methyl-4-prop-1-en-2-ylmorpholin-4-ium (CID 123581780) is 4-methyl-4-prop-1-en-2-ylmorpholin-4-ium.
What is the SMILES notation for 4-methyl-4-prop-1-en-2-ylmorpholin-4-ium?
The canonical SMILES for 4-methyl-4-prop-1-en-2-ylmorpholin-4-ium is C=C(C)[N+]1(C)CCOCC1.
What is the InChIKey of 4-methyl-4-prop-1-en-2-ylmorpholin-4-ium?
The InChIKey is RKOYSVBWPROARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO/c1-8(2)9(3)4-6-10-7-5-9/h1,4-7H2,2-3H3/q+1.
What are the key properties of 4-methyl-4-prop-1-en-2-ylmorpholin-4-ium?
4-methyl-4-prop-1-en-2-ylmorpholin-4-ium has a molecular weight of 142.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-prop-1-en-2-ylmorpholin-4-ium is sourced from PubChem (CID 123581780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).