prop-2-enyl 2-morpholin-4-yl-2-oxoacetate

C9H13NO4 — CID 139567729

IUPACprop-2-enyl 2-morpholin-4-yl-2-oxoacetate
SMILESC=CCOC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C9H13NO4/c1-2-5-14-9(12)8(11)10-3-6-13-7-4-10/h2H,1,3-7H2
InChIKeyCFGHETGBOMXSEP-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.43
Rot. Bonds2

About prop-2-enyl 2-morpholin-4-yl-2-oxoacetate

prop-2-enyl 2-morpholin-4-yl-2-oxoacetate (PubChem CID 139567729) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is prop-2-enyl 2-morpholin-4-yl-2-oxoacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-morpholin-4-yl-2-oxoacetate
PubChem CID139567729
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Nameprop-2-enyl 2-morpholin-4-yl-2-oxoacetate
SMILESC=CCOC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C9H13NO4/c1-2-5-14-9(12)8(11)10-3-6-13-7-4-10/h2H,1,3-7H2
InChIKeyCFGHETGBOMXSEP-UHFFFAOYSA-N
XLogP-0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-morpholin-4-yl-2-oxoacetate?
The IUPAC name of prop-2-enyl 2-morpholin-4-yl-2-oxoacetate (CID 139567729) is prop-2-enyl 2-morpholin-4-yl-2-oxoacetate.
What is the SMILES notation for prop-2-enyl 2-morpholin-4-yl-2-oxoacetate?
The canonical SMILES for prop-2-enyl 2-morpholin-4-yl-2-oxoacetate is C=CCOC(=O)C(=O)N1CCOCC1.
What is the InChIKey of prop-2-enyl 2-morpholin-4-yl-2-oxoacetate?
The InChIKey is CFGHETGBOMXSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-2-5-14-9(12)8(11)10-3-6-13-7-4-10/h2H,1,3-7H2.
What are the key properties of prop-2-enyl 2-morpholin-4-yl-2-oxoacetate?
prop-2-enyl 2-morpholin-4-yl-2-oxoacetate has a molecular weight of 199.21 g/mol, XLogP of -0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-morpholin-4-yl-2-oxoacetate is sourced from PubChem (CID 139567729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).