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

C9H11NO5 — CID 71342407

IUPACethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate
SMILESCCOC(=O)C=CC(=O)N1CCOC1=O
InChIInChI=1S/C9H11NO5/c1-2-14-8(12)4-3-7(11)10-5-6-15-9(10)13/h3-4H,2,5-6H2,1H3
InChIKeyPURCUCVFIFIHMP-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.08
Rot. Bonds3

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

ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate (PubChem CID 71342407) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate
PubChem CID71342407
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Nameethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate
SMILESCCOC(=O)C=CC(=O)N1CCOC1=O
InChIInChI=1S/C9H11NO5/c1-2-14-8(12)4-3-7(11)10-5-6-15-9(10)13/h3-4H,2,5-6H2,1H3
InChIKeyPURCUCVFIFIHMP-UHFFFAOYSA-N
XLogP0.08
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.08
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 ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate?
The IUPAC name of ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate (CID 71342407) is ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate.
What is the SMILES notation for ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate?
The canonical SMILES for ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate is CCOC(=O)C=CC(=O)N1CCOC1=O.
What is the InChIKey of ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate?
The InChIKey is PURCUCVFIFIHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-2-14-8(12)4-3-7(11)10-5-6-15-9(10)13/h3-4H,2,5-6H2,1H3.
What are the key properties of ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate?
ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate has a molecular weight of 213.19 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate is sourced from PubChem (CID 71342407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).