methyl (E)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate

C8H9NO5 — CID 11769493

IUPACmethyl (E)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate
SMILESCOC(=O)/C=C/C(=O)N1CCOC1=O
InChIInChI=1S/C8H9NO5/c1-13-7(11)3-2-6(10)9-4-5-14-8(9)12/h2-3H,4-5H2,1H3/b3-2+
InChIKeyRGOXHVMJDFBAOV-NSCUHMNNSA-N
MW199.16 g/mol
LogP-0.31
Rot. Bonds2

About methyl (E)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate

methyl (E)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate (PubChem CID 11769493) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is methyl (E)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate
PubChem CID11769493
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Namemethyl (E)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate
SMILESCOC(=O)/C=C/C(=O)N1CCOC1=O
InChIInChI=1S/C8H9NO5/c1-13-7(11)3-2-6(10)9-4-5-14-8(9)12/h2-3H,4-5H2,1H3/b3-2+
InChIKeyRGOXHVMJDFBAOV-NSCUHMNNSA-N
XLogP-0.31
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 ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate?
The IUPAC name of methyl (E)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate (CID 11769493) is methyl (E)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate.
What is the SMILES notation for methyl (E)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate?
The canonical SMILES for methyl (E)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate is COC(=O)/C=C/C(=O)N1CCOC1=O.
What is the InChIKey of methyl (E)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate?
The InChIKey is RGOXHVMJDFBAOV-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H9NO5/c1-13-7(11)3-2-6(10)9-4-5-14-8(9)12/h2-3H,4-5H2,1H3/b3-2+.
What are the key properties of methyl (E)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate?
methyl (E)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate has a molecular weight of 199.16 g/mol, XLogP of -0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate is sourced from PubChem (CID 11769493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).