(4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one

C11H15NO3 — CID 24749118

IUPAC(4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1OC(=O)N([C@@H](C=C)CO)[C@H]1C=C
InChIInChI=1S/C11H15NO3/c1-4-8(7-13)12-9(5-2)10(6-3)15-11(12)14/h4-6,8-10,13H,1-3,7H2/t8-,9-,10-/m0/s1
InChIKeyZFRRLCQTHLHENE-GUBZILKMSA-N
MW209.24 g/mol
LogP1.09
Rot. Bonds5

About (4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one

(4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one (PubChem CID 24749118) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
PubChem CID24749118
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1OC(=O)N([C@@H](C=C)CO)[C@H]1C=C
InChIInChI=1S/C11H15NO3/c1-4-8(7-13)12-9(5-2)10(6-3)15-11(12)14/h4-6,8-10,13H,1-3,7H2/t8-,9-,10-/m0/s1
InChIKeyZFRRLCQTHLHENE-GUBZILKMSA-N
XLogP1.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one (CID 24749118) is (4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one is C=C[C@@H]1OC(=O)N([C@@H](C=C)CO)[C@H]1C=C.
What is the InChIKey of (4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZFRRLCQTHLHENE-GUBZILKMSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-8(7-13)12-9(5-2)10(6-3)15-11(12)14/h4-6,8-10,13H,1-3,7H2/t8-,9-,10-/m0/s1.
What are the key properties of (4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one?
(4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 209.24 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 24749118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).