5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one

C8H13NO2 — CID 14325962

IUPAC5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC1OC(=O)NC1C(C)C
InChIInChI=1S/C8H13NO2/c1-4-6-7(5(2)3)9-8(10)11-6/h4-7H,1H2,2-3H3,(H,9,10)
InChIKeyZIOMABMTSSKCDC-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.31
Rot. Bonds2

About 5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one

5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 14325962) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID14325962
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC1OC(=O)NC1C(C)C
InChIInChI=1S/C8H13NO2/c1-4-6-7(5(2)3)9-8(10)11-6/h4-7H,1H2,2-3H3,(H,9,10)
InChIKeyZIOMABMTSSKCDC-UHFFFAOYSA-N
XLogP1.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 14023307
5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130024180
(4S,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one
CID 14841707
(4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102013687
(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one
CID 59706737
(4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14023289
methyl (4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-5-carboxylate
CID 102256348
(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70829759
(4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one
CID 130984881
(4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one
CID 11182889
(4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 45092351
(4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 67112111

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 14325962) is 5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one is C=CC1OC(=O)NC1C(C)C.
What is the InChIKey of 5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZIOMABMTSSKCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-6-7(5(2)3)9-8(10)11-6/h4-7H,1H2,2-3H3,(H,9,10).
What are the key properties of 5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14325962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).