methyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride

C10H19ClN2O3 — CID 142684886

IUPACmethyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride
SMILESC=CC(=O)OCC[NH+](C)N1CCOCC1.[Cl-]
InChIInChI=1S/C10H18N2O3.ClH/c1-3-10(13)15-9-4-11(2)12-5-7-14-8-6-12;/h3H,1,4-9H2,2H3;1H
InChIKeyLTCVQHQEKMEDLI-UHFFFAOYSA-N
MW250.73 g/mol
LogP-4.52
Rot. Bonds5

About methyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride

methyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride (PubChem CID 142684886) has the molecular formula C10H19ClN2O3 and a molecular weight of 250.73 g/mol. Its IUPAC name is methyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride.

Molecular Properties

Compound Namemethyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride
PubChem CID142684886
Molecular FormulaC10H19ClN2O3
Molecular Weight250.73 g/mol
Exact Mass250.11
IUPAC Namemethyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride
SMILESC=CC(=O)OCC[NH+](C)N1CCOCC1.[Cl-]
InChIInChI=1S/C10H18N2O3.ClH/c1-3-10(13)15-9-4-11(2)12-5-7-14-8-6-12;/h3H,1,4-9H2,2H3;1H
InChIKeyLTCVQHQEKMEDLI-UHFFFAOYSA-N
XLogP-4.52
TPSA43.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 5-4.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl(2-prop-2-enoyloxyethyl)azanium fluoride
CID 87218145
2-morpholin-4-ium-4-ylethyl prop-2-enoate
CID 150494618
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
tris(methyl(2-prop-2-enoyloxyethyl)azanium);trichloride
CID 140990808
2-morpholin-4-ylpropyl prop-2-enoate;propyl 2-morpholin-4-ylprop-2-enoate
CID 146541159
2-(2-oxo-1,3-oxazolidin-3-yl)ethyl prop-2-enoate
CID 22728782
6-methylheptyl prop-2-enoate;oxirane
CID 159134071
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
3-carbamoyloxypropyl prop-2-enoate
CID 58831010

Frequently Asked Questions

What is the IUPAC name of methyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride?
The IUPAC name of methyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride (CID 142684886) is methyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride.
What is the SMILES notation for methyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride?
The canonical SMILES for methyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride is C=CC(=O)OCC[NH+](C)N1CCOCC1.[Cl-].
What is the InChIKey of methyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride?
The InChIKey is LTCVQHQEKMEDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3.ClH/c1-3-10(13)15-9-4-11(2)12-5-7-14-8-6-12;/h3H,1,4-9H2,2H3;1H.
What are the key properties of methyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride?
methyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride has a molecular weight of 250.73 g/mol, XLogP of -4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride is sourced from PubChem (CID 142684886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).