ethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate

C9H13NO4 — CID 139842712

IUPACethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate
SMILESC=CCC1OC(=O)NC1C(=O)OCC
InChIInChI=1S/C9H13NO4/c1-3-5-6-7(8(11)13-4-2)10-9(12)14-6/h3,6-7H,1,4-5H2,2H3,(H,10,12)
InChIKeyRNCJENIBZHIDNG-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.60
Rot. Bonds4

About ethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate

ethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate (PubChem CID 139842712) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is ethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate
PubChem CID139842712
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Nameethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate
SMILESC=CCC1OC(=O)NC1C(=O)OCC
InChIInChI=1S/C9H13NO4/c1-3-5-6-7(8(11)13-4-2)10-9(12)14-6/h3,6-7H,1,4-5H2,2H3,(H,10,12)
InChIKeyRNCJENIBZHIDNG-UHFFFAOYSA-N
XLogP0.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
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 ethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate (CID 139842712) is ethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate is C=CCC1OC(=O)NC1C(=O)OCC.
What is the InChIKey of ethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is RNCJENIBZHIDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-3-5-6-7(8(11)13-4-2)10-9(12)14-6/h3,6-7H,1,4-5H2,2H3,(H,10,12).
What are the key properties of ethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate?
ethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 199.21 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 139842712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).