prop-2-enyl 3-oxomorpholine-4-carboxylate

C8H11NO4 — CID 134464572

IUPACprop-2-enyl 3-oxomorpholine-4-carboxylate
SMILESC=CCOC(=O)N1CCOCC1=O
InChIInChI=1S/C8H11NO4/c1-2-4-13-8(11)9-3-5-12-6-7(9)10/h2H,1,3-6H2
InChIKeyVRDBKFDYNQXZEV-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.17
Rot. Bonds2

About prop-2-enyl 3-oxomorpholine-4-carboxylate

prop-2-enyl 3-oxomorpholine-4-carboxylate (PubChem CID 134464572) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is prop-2-enyl 3-oxomorpholine-4-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-oxomorpholine-4-carboxylate
PubChem CID134464572
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameprop-2-enyl 3-oxomorpholine-4-carboxylate
SMILESC=CCOC(=O)N1CCOCC1=O
InChIInChI=1S/C8H11NO4/c1-2-4-13-8(11)9-3-5-12-6-7(9)10/h2H,1,3-6H2
InChIKeyVRDBKFDYNQXZEV-UHFFFAOYSA-N
XLogP0.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.17
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 prop-2-enyl 3-oxomorpholine-4-carboxylate?
The IUPAC name of prop-2-enyl 3-oxomorpholine-4-carboxylate (CID 134464572) is prop-2-enyl 3-oxomorpholine-4-carboxylate.
What is the SMILES notation for prop-2-enyl 3-oxomorpholine-4-carboxylate?
The canonical SMILES for prop-2-enyl 3-oxomorpholine-4-carboxylate is C=CCOC(=O)N1CCOCC1=O.
What is the InChIKey of prop-2-enyl 3-oxomorpholine-4-carboxylate?
The InChIKey is VRDBKFDYNQXZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-4-13-8(11)9-3-5-12-6-7(9)10/h2H,1,3-6H2.
What are the key properties of prop-2-enyl 3-oxomorpholine-4-carboxylate?
prop-2-enyl 3-oxomorpholine-4-carboxylate has a molecular weight of 185.18 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-oxomorpholine-4-carboxylate is sourced from PubChem (CID 134464572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).