4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium

C14H20NO2+ — CID 2244994

IUPAC4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium
SMILESC=CCOc1ccccc1C[NH+]1CCOCC1
InChIInChI=1S/C14H19NO2/c1-2-9-17-14-6-4-3-5-13(14)12-15-7-10-16-11-8-15/h2-6H,1,7-12H2/p+1
InChIKeyUEOBBFXQFKQASD-UHFFFAOYSA-O
MW234.32 g/mol
LogP0.67
Rot. Bonds5

About 4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium

4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium (PubChem CID 2244994) has the molecular formula C14H20NO2+ and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium
PubChem CID2244994
Molecular FormulaC14H20NO2+
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium
SMILESC=CCOc1ccccc1C[NH+]1CCOCC1
InChIInChI=1S/C14H19NO2/c1-2-9-17-14-6-4-3-5-13(14)12-15-7-10-16-11-8-15/h2-6H,1,7-12H2/p+1
InChIKeyUEOBBFXQFKQASD-UHFFFAOYSA-O
XLogP0.67
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium
CID 7444832
1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
CID 102306683
(2-prop-2-enoxyphenyl)methanol
CID 11137475
4-(naphthalen-1-ylmethyl)morpholin-4-ium
CID 6942888
oxirane;1-prop-2-enoxynaphthalene
CID 174790954
3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 2214046
1-ethyl-3-[(2-morpholin-4-ylphenyl)methyl]-2-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111555659
bis[(2-prop-2-enoxyphenyl)methyl] carbonate
CID 129103920
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135818063

Frequently Asked Questions

What is the IUPAC name of 4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium?
The IUPAC name of 4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium (CID 2244994) is 4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium.
What is the SMILES notation for 4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium?
The canonical SMILES for 4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium is C=CCOc1ccccc1C[NH+]1CCOCC1.
What is the InChIKey of 4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium?
The InChIKey is UEOBBFXQFKQASD-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19NO2/c1-2-9-17-14-6-4-3-5-13(14)12-15-7-10-16-11-8-15/h2-6H,1,7-12H2/p+1.
What are the key properties of 4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium?
4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium has a molecular weight of 234.32 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-prop-2-enoxyphenyl)methyl]morpholin-4-ium is sourced from PubChem (CID 2244994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).