methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate

C11H19NO3 — CID 79823412

IUPACmethyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate
SMILESC=CC(C)N1CCOC(CC(=O)OC)C1
InChIInChI=1S/C11H19NO3/c1-4-9(2)12-5-6-15-10(8-12)7-11(13)14-3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyCHCADIOFAKZTJU-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.82
Rot. Bonds4

About methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate

methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate (PubChem CID 79823412) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate
PubChem CID79823412
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate
SMILESC=CC(C)N1CCOC(CC(=O)OC)C1
InChIInChI=1S/C11H19NO3/c1-4-9(2)12-5-6-15-10(8-12)7-11(13)14-3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyCHCADIOFAKZTJU-UHFFFAOYSA-N
XLogP0.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[1-(methylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 79822708
methyl 2-[4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 79827498
methyl 2-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 79827501
methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
CID 79769803
2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
CID 113330714
methyl 3-(2-ethylmorpholin-4-yl)butanoate
CID 43562857
methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate
CID 79806421
methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate
CID 115873221
methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate
CID 79822362
methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
CID 79822697
methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
CID 79806815
methyl 2-[4-(2-carbamothioyl-3-methylbutanoyl)morpholin-2-yl]acetate
CID 115534739

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate?
The IUPAC name of methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate (CID 79823412) is methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate?
The canonical SMILES for methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate is C=CC(C)N1CCOC(CC(=O)OC)C1.
What is the InChIKey of methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate?
The InChIKey is CHCADIOFAKZTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-9(2)12-5-6-15-10(8-12)7-11(13)14-3/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate?
methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate has a molecular weight of 213.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate is sourced from PubChem (CID 79823412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).