3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one

C11H10INO2 — CID 78210230

IUPAC3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C(I)=C\c1ccccc1
InChIInChI=1S/C11H10INO2/c12-10(13-6-7-15-11(13)14)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b10-8-
InChIKeyGNEKPDGSDZWDMY-NTMALXAHSA-N
MW315.11 g/mol
LogP2.87
Rot. Bonds2

About 3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one

3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one (PubChem CID 78210230) has the molecular formula C11H10INO2 and a molecular weight of 315.11 g/mol. Its IUPAC name is 3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one
PubChem CID78210230
Molecular FormulaC11H10INO2
Molecular Weight315.11 g/mol
Exact Mass314.98
IUPAC Name3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C(I)=C\c1ccccc1
InChIInChI=1S/C11H10INO2/c12-10(13-6-7-15-11(13)14)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b10-8-
InChIKeyGNEKPDGSDZWDMY-NTMALXAHSA-N
XLogP2.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132965775
3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one
CID 122388161
3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one
CID 10560618
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-phenylbenzoate
CID 8650065
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
(Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid
CID 177477909
(E)-2-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylprop-2-enamide
CID 110425854
3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene
CID 142842352
3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 175209647
3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 101132286
3-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 102377598
3-[(Z)-5-[dimethyl(phenyl)silyl]hex-4-enoyl]-1,3-oxazolidin-2-one
CID 101064679

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one (CID 78210230) is 3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one is O=C1OCCN1/C(I)=C\c1ccccc1.
What is the InChIKey of 3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one?
The InChIKey is GNEKPDGSDZWDMY-NTMALXAHSA-N. The full InChI is InChI=1S/C11H10INO2/c12-10(13-6-7-15-11(13)14)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b10-8-.
What are the key properties of 3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one?
3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one has a molecular weight of 315.11 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 78210230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).