(4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one

C14H15NO2 — CID 67112111

IUPAC(4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@H]1NC(=O)O[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C14H15NO2/c1-2-6-12-13(17-14(16)15-12)10-9-11-7-4-3-5-8-11/h2-5,7-10,12-13H,1,6H2,(H,15,16)/b10-9+/t12-,13-/m1/s1
InChIKeyXDAMTKQGLYKNMU-WGVUZWOWSA-N
MW229.28 g/mol
LogP2.75
Rot. Bonds4

About (4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one

(4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 67112111) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID67112111
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@H]1NC(=O)O[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C14H15NO2/c1-2-6-12-13(17-14(16)15-12)10-9-11-7-4-3-5-8-11/h2-5,7-10,12-13H,1,6H2,(H,15,16)/b10-9+/t12-,13-/m1/s1
InChIKeyXDAMTKQGLYKNMU-WGVUZWOWSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-5-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102013687
(4R)-4-(2-phenylethenyl)-1,3-oxazolidin-2-one
CID 69253686
(2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline
CID 743025
5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14325962
4-propan-2-yl-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 14023307
(3aS,4R,6aS)-4-[(E)-2-phenylethenyl]-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione
CID 102049388
(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 101245141
bis(2-aminoethyl) (2S,3R,4S,5R)-2-ethenyl-5-(2-phenylethenyl)oxolane-3,4-dicarboxylate
CID 66908522
4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one
CID 70066029
4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one
CID 14553806
3-ethyl-4-(2-phenylethenyl)azetidin-2-one
CID 54427704
(4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 102031796

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one (CID 67112111) is (4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one is C=CC[C@H]1NC(=O)O[C@@H]1/C=C/c1ccccc1.
What is the InChIKey of (4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is XDAMTKQGLYKNMU-WGVUZWOWSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-6-12-13(17-14(16)15-12)10-9-11-7-4-3-5-8-11/h2-5,7-10,12-13H,1,6H2,(H,15,16)/b10-9+/t12-,13-/m1/s1.
What are the key properties of (4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one?
(4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(E)-2-phenylethenyl]-4-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67112111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).