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

C9H13NO3 — CID 11240840

IUPAC(4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H](CO)N1C(=O)OC[C@@H]1C=C
InChIInChI=1S/C9H13NO3/c1-3-7(5-11)10-8(4-2)6-13-9(10)12/h3-4,7-8,11H,1-2,5-6H2/t7-,8-/m0/s1
InChIKeyBGDYJWGEHZTGBF-YUMQZZPRSA-N
MW183.21 g/mol
LogP0.54
Rot. Bonds4

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

(4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one (PubChem CID 11240840) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
PubChem CID11240840
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H](CO)N1C(=O)OC[C@@H]1C=C
InChIInChI=1S/C9H13NO3/c1-3-7(5-11)10-8(4-2)6-13-9(10)12/h3-4,7-8,11H,1-2,5-6H2/t7-,8-/m0/s1
InChIKeyBGDYJWGEHZTGBF-YUMQZZPRSA-N
XLogP0.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Vinyl-Methyl-Oxazolidinon
CID 13928327
(4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 11298337
(4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
CID 24749118
(4S,5S)-4,5-bis(ethenyl)-3-[(2R)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
CID 121006507
(4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 11310110
(4S)-3-[(E)-but-2-enyl]-4-ethenyl-1,3-oxazolidin-2-one
CID 101062784
4-Ethenyl-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 10986450
3-Butyl-4-ethenyl-1,3-oxazolidin-2-one
CID 22891809
4-Ethenyl-3-ethyl-1,3-oxazolidin-2-one
CID 22891811
4-Ethenyl-3-propyl-1,3-oxazolidin-2-one
CID 22891812
4-Ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 23157098
3-But-3-en-2-yl-1,3-oxazolidin-2-one
CID 23283739

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one (CID 11240840) is (4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one is C=C[C@@H](CO)N1C(=O)OC[C@@H]1C=C.
What is the InChIKey of (4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is BGDYJWGEHZTGBF-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-7(5-11)10-8(4-2)6-13-9(10)12/h3-4,7-8,11H,1-2,5-6H2/t7-,8-/m0/s1.
What are the key properties of (4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one?
(4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 183.21 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11240840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).