methyl 3-(2,2,6-trimethylmorpholin-4-yl)prop-2-enoate

C11H19NO3 — CID 79896781

IUPACmethyl 3-(2,2,6-trimethylmorpholin-4-yl)prop-2-enoate
SMILESCOC(=O)C=CN1CC(C)OC(C)(C)C1
InChIInChI=1S/C11H19NO3/c1-9-7-12(6-5-10(13)14-4)8-11(2,3)15-9/h5-6,9H,7-8H2,1-4H3
InChIKeyXMVLDXYYOYVXJG-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.17
Rot. Bonds2

About methyl 3-(2,2,6-trimethylmorpholin-4-yl)prop-2-enoate

methyl 3-(2,2,6-trimethylmorpholin-4-yl)prop-2-enoate (PubChem CID 79896781) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 3-(2,2,6-trimethylmorpholin-4-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(2,2,6-trimethylmorpholin-4-yl)prop-2-enoate
PubChem CID79896781
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 3-(2,2,6-trimethylmorpholin-4-yl)prop-2-enoate
SMILESCOC(=O)C=CN1CC(C)OC(C)(C)C1
InChIInChI=1S/C11H19NO3/c1-9-7-12(6-5-10(13)14-4)8-11(2,3)15-9/h5-6,9H,7-8H2,1-4H3
InChIKeyXMVLDXYYOYVXJG-UHFFFAOYSA-N
XLogP1.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2,6-trimethylmorpholin-4-yl)prop-2-enoate?
The IUPAC name of methyl 3-(2,2,6-trimethylmorpholin-4-yl)prop-2-enoate (CID 79896781) is methyl 3-(2,2,6-trimethylmorpholin-4-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(2,2,6-trimethylmorpholin-4-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(2,2,6-trimethylmorpholin-4-yl)prop-2-enoate is COC(=O)C=CN1CC(C)OC(C)(C)C1.
What is the InChIKey of methyl 3-(2,2,6-trimethylmorpholin-4-yl)prop-2-enoate?
The InChIKey is XMVLDXYYOYVXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9-7-12(6-5-10(13)14-4)8-11(2,3)15-9/h5-6,9H,7-8H2,1-4H3.
What are the key properties of methyl 3-(2,2,6-trimethylmorpholin-4-yl)prop-2-enoate?
methyl 3-(2,2,6-trimethylmorpholin-4-yl)prop-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2,6-trimethylmorpholin-4-yl)prop-2-enoate is sourced from PubChem (CID 79896781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).