methyl 2-(4-pent-4-enoylmorpholin-2-yl)acetate

C12H19NO4 — CID 79806245

IUPACmethyl 2-(4-pent-4-enoylmorpholin-2-yl)acetate
SMILESC=CCCC(=O)N1CCOC(CC(=O)OC)C1
InChIInChI=1S/C12H19NO4/c1-3-4-5-11(14)13-6-7-17-10(9-13)8-12(15)16-2/h3,10H,1,4-9H2,2H3
InChIKeyNLRBGBJRUFLNKH-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.74
Rot. Bonds5

About methyl 2-(4-pent-4-enoylmorpholin-2-yl)acetate

methyl 2-(4-pent-4-enoylmorpholin-2-yl)acetate (PubChem CID 79806245) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 2-(4-pent-4-enoylmorpholin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-pent-4-enoylmorpholin-2-yl)acetate
PubChem CID79806245
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl 2-(4-pent-4-enoylmorpholin-2-yl)acetate
SMILESC=CCCC(=O)N1CCOC(CC(=O)OC)C1
InChIInChI=1S/C12H19NO4/c1-3-4-5-11(14)13-6-7-17-10(9-13)8-12(15)16-2/h3,10H,1,4-9H2,2H3
InChIKeyNLRBGBJRUFLNKH-UHFFFAOYSA-N
XLogP0.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-pent-4-enoylmorpholin-2-yl)acetate?
The IUPAC name of methyl 2-(4-pent-4-enoylmorpholin-2-yl)acetate (CID 79806245) is methyl 2-(4-pent-4-enoylmorpholin-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-pent-4-enoylmorpholin-2-yl)acetate?
The canonical SMILES for methyl 2-(4-pent-4-enoylmorpholin-2-yl)acetate is C=CCCC(=O)N1CCOC(CC(=O)OC)C1.
What is the InChIKey of methyl 2-(4-pent-4-enoylmorpholin-2-yl)acetate?
The InChIKey is NLRBGBJRUFLNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-3-4-5-11(14)13-6-7-17-10(9-13)8-12(15)16-2/h3,10H,1,4-9H2,2H3.
What are the key properties of methyl 2-(4-pent-4-enoylmorpholin-2-yl)acetate?
methyl 2-(4-pent-4-enoylmorpholin-2-yl)acetate has a molecular weight of 241.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-pent-4-enoylmorpholin-2-yl)acetate is sourced from PubChem (CID 79806245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).