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

C6H9NO2 — CID 130984881

IUPAC(4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1NC(=O)O[C@H]1C
InChIInChI=1S/C6H9NO2/c1-3-5-4(2)9-6(8)7-5/h3-5H,1H2,2H3,(H,7,8)/t4-,5-/m0/s1
InChIKeyOVYWWULCTFBJJW-WHFBIAKZSA-N
MW127.14 g/mol
LogP0.67
Rot. Bonds1

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

(4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one (PubChem CID 130984881) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one
PubChem CID130984881
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1NC(=O)O[C@H]1C
InChIInChI=1S/C6H9NO2/c1-3-5-4(2)9-6(8)7-5/h3-5H,1H2,2H3,(H,7,8)/t4-,5-/m0/s1
InChIKeyOVYWWULCTFBJJW-WHFBIAKZSA-N
XLogP0.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.67
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-ethenyl-4-methyl-1,3-oxazolidin-2-one
CID 14841707
(4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one
CID 55288362
5-methyl-4-octa-1,2-dienyl-1,3-oxazolidin-2-one
CID 89425896
(4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one
CID 23246426
(4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one
CID 11182889
(4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one
CID 641518
(4R,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one
CID 11147728
5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14325962
5-ethenyl-4-methylpyrrolidin-2-one
CID 141070744
(4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 10290857
(5R,6R)-5-ethenyl-6-methyloxan-2-one
CID 11320973
4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 14083777

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one (CID 130984881) is (4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one is C=C[C@@H]1NC(=O)O[C@H]1C.
What is the InChIKey of (4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is OVYWWULCTFBJJW-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H9NO2/c1-3-5-4(2)9-6(8)7-5/h3-5H,1H2,2H3,(H,7,8)/t4-,5-/m0/s1.
What are the key properties of (4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one?
(4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 127.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130984881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).