[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate

C8H9NO5 — CID 72723663

IUPAC[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate
SMILESCC(=O)O/C=C/C(=O)N1CCOC1=O
InChIInChI=1S/C8H9NO5/c1-6(10)13-4-2-7(11)9-3-5-14-8(9)12/h2,4H,3,5H2,1H3/b4-2+
InChIKeyDXBIJXULZUFAER-DUXPYHPUSA-N
MW199.16 g/mol
LogP0.04
Rot. Bonds2

About [(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate

[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate (PubChem CID 72723663) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is [(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate
PubChem CID72723663
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Name[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate
SMILESCC(=O)O/C=C/C(=O)N1CCOC1=O
InChIInChI=1S/C8H9NO5/c1-6(10)13-4-2-7(11)9-3-5-14-8(9)12/h2,4H,3,5H2,1H3/b4-2+
InChIKeyDXBIJXULZUFAER-DUXPYHPUSA-N
XLogP0.04
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate?
The IUPAC name of [(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate (CID 72723663) is [(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate.
What is the SMILES notation for [(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate?
The canonical SMILES for [(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate is CC(=O)O/C=C/C(=O)N1CCOC1=O.
What is the InChIKey of [(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate?
The InChIKey is DXBIJXULZUFAER-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H9NO5/c1-6(10)13-4-2-7(11)9-3-5-14-8(9)12/h2,4H,3,5H2,1H3/b4-2+.
What are the key properties of [(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate?
[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate has a molecular weight of 199.16 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate is sourced from PubChem (CID 72723663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).