2-morpholin-4-ium-4-ylethyl prop-2-enoate

C9H16NO3+ — CID 150494618

IUPAC2-morpholin-4-ium-4-ylethyl prop-2-enoate
SMILESC=CC(=O)OCC[NH+]1CCOCC1
InChIInChI=1S/C9H15NO3/c1-2-9(11)13-8-5-10-3-6-12-7-4-10/h2H,1,3-8H2/p+1
InChIKeyHWNIMFWVBMOWHI-UHFFFAOYSA-O
MW186.23 g/mol
LogP-1.37
Rot. Bonds4

About 2-morpholin-4-ium-4-ylethyl prop-2-enoate

2-morpholin-4-ium-4-ylethyl prop-2-enoate (PubChem CID 150494618) has the molecular formula C9H16NO3+ and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-morpholin-4-ium-4-ylethyl prop-2-enoate.

Molecular Properties

Compound Name2-morpholin-4-ium-4-ylethyl prop-2-enoate
PubChem CID150494618
Molecular FormulaC9H16NO3+
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Name2-morpholin-4-ium-4-ylethyl prop-2-enoate
SMILESC=CC(=O)OCC[NH+]1CCOCC1
InChIInChI=1S/C9H15NO3/c1-2-9(11)13-8-5-10-3-6-12-7-4-10/h2H,1,3-8H2/p+1
InChIKeyHWNIMFWVBMOWHI-UHFFFAOYSA-O
XLogP-1.37
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-ium-4-ylethyl 3-sulfanylpropanoate
CID 168757856
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-(2-morpholin-4-ium-4-ylethoxycarbonyl)benzoate
CID 6942487
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-[2-(2-morpholin-4-ium-4-ylethoxy)ethoxy]ethyl 2-iodopropanoate
CID 162509469
methyl-morpholin-4-yl-(2-prop-2-enoyloxyethyl)azanium chloride
CID 142684886
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholin-4-ium
CID 140879614
6-methylheptyl prop-2-enoate;oxirane
CID 159134071
2-chloroethyl prop-2-enoate
CID 16627
2-chloroethyl prop-2-enoate;ruthenium
CID 90254573

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-ylethyl prop-2-enoate?
The IUPAC name of 2-morpholin-4-ium-4-ylethyl prop-2-enoate (CID 150494618) is 2-morpholin-4-ium-4-ylethyl prop-2-enoate.
What is the SMILES notation for 2-morpholin-4-ium-4-ylethyl prop-2-enoate?
The canonical SMILES for 2-morpholin-4-ium-4-ylethyl prop-2-enoate is C=CC(=O)OCC[NH+]1CCOCC1.
What is the InChIKey of 2-morpholin-4-ium-4-ylethyl prop-2-enoate?
The InChIKey is HWNIMFWVBMOWHI-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H15NO3/c1-2-9(11)13-8-5-10-3-6-12-7-4-10/h2H,1,3-8H2/p+1.
What are the key properties of 2-morpholin-4-ium-4-ylethyl prop-2-enoate?
2-morpholin-4-ium-4-ylethyl prop-2-enoate has a molecular weight of 186.23 g/mol, XLogP of -1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ium-4-ylethyl prop-2-enoate is sourced from PubChem (CID 150494618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).