(4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one

C7H9NO2 — CID 24749117

IUPAC(4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1NC(=O)O[C@H]1C=C
InChIInChI=1S/C7H9NO2/c1-3-5-6(4-2)10-7(9)8-5/h3-6H,1-2H2,(H,8,9)/t5-,6-/m0/s1
InChIKeyPTAQYMAIFRYDMK-WDSKDSINSA-N
MW139.15 g/mol
LogP0.84
Rot. Bonds2

About (4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one

(4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one (PubChem CID 24749117) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one
PubChem CID24749117
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1NC(=O)O[C@H]1C=C
InChIInChI=1S/C7H9NO2/c1-3-5-6(4-2)10-7(9)8-5/h3-6H,1-2H2,(H,8,9)/t5-,6-/m0/s1
InChIKeyPTAQYMAIFRYDMK-WDSKDSINSA-N
XLogP0.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one (CID 24749117) is (4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one is C=C[C@@H]1NC(=O)O[C@H]1C=C.
What is the InChIKey of (4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one?
The InChIKey is PTAQYMAIFRYDMK-WDSKDSINSA-N. The full InChI is InChI=1S/C7H9NO2/c1-3-5-6(4-2)10-7(9)8-5/h3-6H,1-2H2,(H,8,9)/t5-,6-/m0/s1.
What are the key properties of (4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one?
(4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one has a molecular weight of 139.15 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-bis(ethenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 24749117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).