dimethyl-morpholin-2-yl-(2-prop-2-enoyloxyethyl)azanium

C11H21N2O3+ — CID 174746623

IUPACdimethyl-morpholin-2-yl-(2-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OCC[N+](C)(C)C1CNCCO1
InChIInChI=1S/C11H21N2O3/c1-4-11(14)16-8-6-13(2,3)10-9-12-5-7-15-10/h4,10,12H,1,5-9H2,2-3H3/q+1
InChIKeySFALIBWZMQCTFG-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.26
Rot. Bonds5

About dimethyl-morpholin-2-yl-(2-prop-2-enoyloxyethyl)azanium

dimethyl-morpholin-2-yl-(2-prop-2-enoyloxyethyl)azanium (PubChem CID 174746623) has the molecular formula C11H21N2O3+ and a molecular weight of 229.30 g/mol. Its IUPAC name is dimethyl-morpholin-2-yl-(2-prop-2-enoyloxyethyl)azanium.

Molecular Properties

Compound Namedimethyl-morpholin-2-yl-(2-prop-2-enoyloxyethyl)azanium
PubChem CID174746623
Molecular FormulaC11H21N2O3+
Molecular Weight229.30 g/mol
Exact Mass229.15
IUPAC Namedimethyl-morpholin-2-yl-(2-prop-2-enoyloxyethyl)azanium
SMILESC=CC(=O)OCC[N+](C)(C)C1CNCCO1
InChIInChI=1S/C11H21N2O3/c1-4-11(14)16-8-6-13(2,3)10-9-12-5-7-15-10/h4,10,12H,1,5-9H2,2-3H3/q+1
InChIKeySFALIBWZMQCTFG-UHFFFAOYSA-N
XLogP-0.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

morpholin-2-yl prop-2-enoate
CID 22497789
1-morpholin-2-ylethyl prop-2-enoate
CID 22556289
ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide
CID 86070106
sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium
CID 87436586
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium;sulfate
CID 172833896
ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride
CID 174937508
3-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 174813594
trimethyl(8-prop-2-enoyloxyoctyl)azanium
CID 10060306
bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate
CID 66662905
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
diethyl-methyl-(4-prop-2-enoyloxybutyl)azanium
CID 54323618

Frequently Asked Questions

What is the IUPAC name of dimethyl-morpholin-2-yl-(2-prop-2-enoyloxyethyl)azanium?
The IUPAC name of dimethyl-morpholin-2-yl-(2-prop-2-enoyloxyethyl)azanium (CID 174746623) is dimethyl-morpholin-2-yl-(2-prop-2-enoyloxyethyl)azanium.
What is the SMILES notation for dimethyl-morpholin-2-yl-(2-prop-2-enoyloxyethyl)azanium?
The canonical SMILES for dimethyl-morpholin-2-yl-(2-prop-2-enoyloxyethyl)azanium is C=CC(=O)OCC[N+](C)(C)C1CNCCO1.
What is the InChIKey of dimethyl-morpholin-2-yl-(2-prop-2-enoyloxyethyl)azanium?
The InChIKey is SFALIBWZMQCTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O3/c1-4-11(14)16-8-6-13(2,3)10-9-12-5-7-15-10/h4,10,12H,1,5-9H2,2-3H3/q+1.
What are the key properties of dimethyl-morpholin-2-yl-(2-prop-2-enoyloxyethyl)azanium?
dimethyl-morpholin-2-yl-(2-prop-2-enoyloxyethyl)azanium has a molecular weight of 229.30 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-morpholin-2-yl-(2-prop-2-enoyloxyethyl)azanium is sourced from PubChem (CID 174746623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).