[(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate

C8H11NO4 — CID 91982415

IUPAC[(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/C1COC(=O)N1
InChIInChI=1S/C8H11NO4/c1-6(10)12-4-2-3-7-5-13-8(11)9-7/h2-3,7H,4-5H2,1H3,(H,9,11)/b3-2+
InChIKeyASOAEZPKUIZSML-NSCUHMNNSA-N
MW185.18 g/mol
LogP0.21
Rot. Bonds3

About [(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate

[(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate (PubChem CID 91982415) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is [(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate
PubChem CID91982415
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name[(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/C1COC(=O)N1
InChIInChI=1S/C8H11NO4/c1-6(10)12-4-2-3-7-5-13-8(11)9-7/h2-3,7H,4-5H2,1H3,(H,9,11)/b3-2+
InChIKeyASOAEZPKUIZSML-NSCUHMNNSA-N
XLogP0.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate
CID 10560374
3-(6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-yl)prop-2-enyl acetate
CID 123970791
(4S)-4-acetyl-1,3-oxazolidin-2-one
CID 66831189
[(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate
CID 15327120
2-cyclopropylideneethyl acetate
CID 14809849
[(E)-3-[(2S,3S,5S)-3-acetyloxy-5-ethenyloxolan-2-yl]prop-2-enyl] acetate
CID 10706100
1-O-ethyl 4-O-[(2-oxo-1,3-oxazolidin-4-yl)methyl] (E)-but-2-enedioate
CID 122480493
4-hydroxybut-2-enyl acetate
CID 54073989
[(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate
CID 102196467
(2-oxooxolan-3-yl)methyl acetate
CID 12039852
4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene
CID 143059431
[(E)-3-dimethoxyphosphorylprop-2-enyl] acetate
CID 11052829

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate?
The IUPAC name of [(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate (CID 91982415) is [(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate?
The canonical SMILES for [(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate is CC(=O)OC/C=C/C1COC(=O)N1.
What is the InChIKey of [(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate?
The InChIKey is ASOAEZPKUIZSML-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H11NO4/c1-6(10)12-4-2-3-7-5-13-8(11)9-7/h2-3,7H,4-5H2,1H3,(H,9,11)/b3-2+.
What are the key properties of [(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate?
[(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate has a molecular weight of 185.18 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate is sourced from PubChem (CID 91982415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).