3-acetyl-4-ethenyl-1,3-oxazolidin-2-one

C7H9NO3 — CID 23405610

IUPAC3-acetyl-4-ethenyl-1,3-oxazolidin-2-one
SMILESC=CC1COC(=O)N1C(C)=O
InChIInChI=1S/C7H9NO3/c1-3-6-4-11-7(10)8(6)5(2)9/h3,6H,1,4H2,2H3
InChIKeySDIRXBOXHFDZGK-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.54
Rot. Bonds1

About 3-acetyl-4-ethenyl-1,3-oxazolidin-2-one

3-acetyl-4-ethenyl-1,3-oxazolidin-2-one (PubChem CID 23405610) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-acetyl-4-ethenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-acetyl-4-ethenyl-1,3-oxazolidin-2-one
PubChem CID23405610
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-acetyl-4-ethenyl-1,3-oxazolidin-2-one
SMILESC=CC1COC(=O)N1C(C)=O
InChIInChI=1S/C7H9NO3/c1-3-6-4-11-7(10)8(6)5(2)9/h3,6H,1,4H2,2H3
InChIKeySDIRXBOXHFDZGK-UHFFFAOYSA-N
XLogP0.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Vinyl-Methyl-Oxazolidinon
CID 13928327
But-3-enoyloxazolidinone
CID 15327399
(4R,5R)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one
CID 15177633
(4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one
CID 15177634
3-But-3-enoyl-1,3-oxazolidin-2-one
CID 135015962
4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one
CID 42643977
4-methyl-3-[(E)-pent-2-enyl]-1,3-oxazolidin-2-one
CID 42643983
(4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one
CID 101062784
4-Ethenyl-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 10986450
(4S)-3-[(E)-but-2-enoyl]-4-methyl-1,3-oxazolidin-2-one
CID 13949688
Tert-butyl 4-ethenyl-2-oxo-1,3-oxazolidine-3-carboxylate
CID 22267086
3-Butyl-4-ethenyl-1,3-oxazolidin-2-one
CID 22891809

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-ethenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-acetyl-4-ethenyl-1,3-oxazolidin-2-one (CID 23405610) is 3-acetyl-4-ethenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-acetyl-4-ethenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-acetyl-4-ethenyl-1,3-oxazolidin-2-one is C=CC1COC(=O)N1C(C)=O.
What is the InChIKey of 3-acetyl-4-ethenyl-1,3-oxazolidin-2-one?
The InChIKey is SDIRXBOXHFDZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-3-6-4-11-7(10)8(6)5(2)9/h3,6H,1,4H2,2H3.
What are the key properties of 3-acetyl-4-ethenyl-1,3-oxazolidin-2-one?
3-acetyl-4-ethenyl-1,3-oxazolidin-2-one has a molecular weight of 155.15 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-ethenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23405610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).