ethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate

C8H11NO4 — CID 101460562

IUPACethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/N1CCOC1=O
InChIInChI=1S/C8H11NO4/c1-2-12-7(10)3-4-9-5-6-13-8(9)11/h3-4H,2,5-6H2,1H3/b4-3+
InChIKeyFMNTZEDUGVKXMW-ONEGZZNKSA-N
MW185.18 g/mol
LogP0.52
Rot. Bonds3

About ethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate

ethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate (PubChem CID 101460562) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is ethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate
PubChem CID101460562
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/N1CCOC1=O
InChIInChI=1S/C8H11NO4/c1-2-12-7(10)3-4-9-5-6-13-8(9)11/h3-4H,2,5-6H2,1H3/b4-3+
InChIKeyFMNTZEDUGVKXMW-ONEGZZNKSA-N
XLogP0.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(4-methylpiperazin-1-yl)prop-2-enoate
CID 15300719
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
N-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide
CID 177479355
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 8888348
(E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide
CID 101460563
3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one
CID 141343638
ethyl 2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-4-methyl-5-oxo-1,2-oxazole-3-carboxylate
CID 102243362
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311
3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one
CID 141333748
4-O-[(Z)-4-ethoxy-4-oxobut-2-enoyl]oxycarbonyl 1-O-ethyl (Z)-but-2-enedioate
CID 175217873
(3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate
CID 144930125
3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one
CID 118400703

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate (CID 101460562) is ethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate is CCOC(=O)/C=C/N1CCOC1=O.
What is the InChIKey of ethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate?
The InChIKey is FMNTZEDUGVKXMW-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-12-7(10)3-4-9-5-6-13-8(9)11/h3-4H,2,5-6H2,1H3/b4-3+.
What are the key properties of ethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate?
ethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate has a molecular weight of 185.18 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate is sourced from PubChem (CID 101460562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).