4-ethyl-2-ethynyl-4-methylmorpholin-4-ium

C9H16NO+ — CID 174261929

IUPAC4-ethyl-2-ethynyl-4-methylmorpholin-4-ium
SMILESC#CC1C[N+](C)(CC)CCO1
InChIInChI=1S/C9H16NO/c1-4-9-8-10(3,5-2)6-7-11-9/h1,9H,5-8H2,2-3H3/q+1
InChIKeyIEGLUVCVYMSHPB-UHFFFAOYSA-N
MW154.23 g/mol
LogP0.48
Rot. Bonds1

About 4-ethyl-2-ethynyl-4-methylmorpholin-4-ium

4-ethyl-2-ethynyl-4-methylmorpholin-4-ium (PubChem CID 174261929) has the molecular formula C9H16NO+ and a molecular weight of 154.23 g/mol. Its IUPAC name is 4-ethyl-2-ethynyl-4-methylmorpholin-4-ium.

Molecular Properties

Compound Name4-ethyl-2-ethynyl-4-methylmorpholin-4-ium
PubChem CID174261929
Molecular FormulaC9H16NO+
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name4-ethyl-2-ethynyl-4-methylmorpholin-4-ium
SMILESC#CC1C[N+](C)(CC)CCO1
InChIInChI=1S/C9H16NO/c1-4-9-8-10(3,5-2)6-7-11-9/h1,9H,5-8H2,2-3H3/q+1
InChIKeyIEGLUVCVYMSHPB-UHFFFAOYSA-N
XLogP0.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride
CID 130276515
1-ethyl-1-methylpyrrolidin-1-ium-3-thiol
CID 151886530
4-ethyl-2,2,4-trimethylmorpholin-4-ium
CID 13123892
2-ethynyl-4-propan-2-yl-1,4-oxazepane
CID 176594331
1-ethyl-1-methylpyrrolidin-1-ium fluoride
CID 67241835
methyl 1-ethyl-1-methylpiperidin-1-ium-3-carboxylate bromide
CID 3048291
(5S)-3-ethyl-5-ethynyl-1,3-oxazolidin-2-one
CID 129498556
1-ethyl-1-methylazepan-1-ium iodide
CID 134896508
1-[(2S)-2-ethynylmorpholin-4-yl]ethanone
CID 156635882
(2R)-2-ethynyl-1-methyl-1-propylazetidin-1-ium
CID 163772446
4-methyl-4-[[5-[(4-methylmorpholin-4-ium-4-yl)methyl]-1,4-dioxan-2-yl]methyl]morpholin-4-ium diiodide
CID 21236631
1-ethyl-1-methylpyrrolidin-1-ium cyanide
CID 87321846

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-ethynyl-4-methylmorpholin-4-ium?
The IUPAC name of 4-ethyl-2-ethynyl-4-methylmorpholin-4-ium (CID 174261929) is 4-ethyl-2-ethynyl-4-methylmorpholin-4-ium.
What is the SMILES notation for 4-ethyl-2-ethynyl-4-methylmorpholin-4-ium?
The canonical SMILES for 4-ethyl-2-ethynyl-4-methylmorpholin-4-ium is C#CC1C[N+](C)(CC)CCO1.
What is the InChIKey of 4-ethyl-2-ethynyl-4-methylmorpholin-4-ium?
The InChIKey is IEGLUVCVYMSHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO/c1-4-9-8-10(3,5-2)6-7-11-9/h1,9H,5-8H2,2-3H3/q+1.
What are the key properties of 4-ethyl-2-ethynyl-4-methylmorpholin-4-ium?
4-ethyl-2-ethynyl-4-methylmorpholin-4-ium has a molecular weight of 154.23 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-ethynyl-4-methylmorpholin-4-ium is sourced from PubChem (CID 174261929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).