prop-2-enyl 2-(2-methyl-1,3-dioxolan-2-yl)morpholine-4-carboxylate

C12H19NO5 — CID 15117304

IUPACprop-2-enyl 2-(2-methyl-1,3-dioxolan-2-yl)morpholine-4-carboxylate
SMILESC=CCOC(=O)N1CCOC(C2(C)OCCO2)C1
InChIInChI=1S/C12H19NO5/c1-3-5-16-11(14)13-4-6-15-10(9-13)12(2)17-7-8-18-12/h3,10H,1,4-9H2,2H3
InChIKeyXUGJREVLPASABP-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.77
Rot. Bonds3

About prop-2-enyl 2-(2-methyl-1,3-dioxolan-2-yl)morpholine-4-carboxylate

prop-2-enyl 2-(2-methyl-1,3-dioxolan-2-yl)morpholine-4-carboxylate (PubChem CID 15117304) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is prop-2-enyl 2-(2-methyl-1,3-dioxolan-2-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-(2-methyl-1,3-dioxolan-2-yl)morpholine-4-carboxylate
PubChem CID15117304
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Nameprop-2-enyl 2-(2-methyl-1,3-dioxolan-2-yl)morpholine-4-carboxylate
SMILESC=CCOC(=O)N1CCOC(C2(C)OCCO2)C1
InChIInChI=1S/C12H19NO5/c1-3-5-16-11(14)13-4-6-15-10(9-13)12(2)17-7-8-18-12/h3,10H,1,4-9H2,2H3
InChIKeyXUGJREVLPASABP-UHFFFAOYSA-N
XLogP0.77
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 prop-2-enyl 2-(2-methyl-1,3-dioxolan-2-yl)morpholine-4-carboxylate?
The IUPAC name of prop-2-enyl 2-(2-methyl-1,3-dioxolan-2-yl)morpholine-4-carboxylate (CID 15117304) is prop-2-enyl 2-(2-methyl-1,3-dioxolan-2-yl)morpholine-4-carboxylate.
What is the SMILES notation for prop-2-enyl 2-(2-methyl-1,3-dioxolan-2-yl)morpholine-4-carboxylate?
The canonical SMILES for prop-2-enyl 2-(2-methyl-1,3-dioxolan-2-yl)morpholine-4-carboxylate is C=CCOC(=O)N1CCOC(C2(C)OCCO2)C1.
What is the InChIKey of prop-2-enyl 2-(2-methyl-1,3-dioxolan-2-yl)morpholine-4-carboxylate?
The InChIKey is XUGJREVLPASABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-3-5-16-11(14)13-4-6-15-10(9-13)12(2)17-7-8-18-12/h3,10H,1,4-9H2,2H3.
What are the key properties of prop-2-enyl 2-(2-methyl-1,3-dioxolan-2-yl)morpholine-4-carboxylate?
prop-2-enyl 2-(2-methyl-1,3-dioxolan-2-yl)morpholine-4-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(2-methyl-1,3-dioxolan-2-yl)morpholine-4-carboxylate is sourced from PubChem (CID 15117304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).