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

C6H9NO2 — CID 134950685

IUPAC(4R,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one
SMILESC=C[C@H]1OC(=O)N[C@@H]1C
InChIInChI=1S/C6H9NO2/c1-3-5-4(2)7-6(8)9-5/h3-5H,1H2,2H3,(H,7,8)/t4-,5-/m1/s1
InChIKeyOAJZFTZXUQAADP-RFZPGFLSSA-N
MW127.14 g/mol
LogP0.67
Rot. Bonds1

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

(4R,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one (PubChem CID 134950685) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (4R,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one
PubChem CID134950685
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(4R,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one
SMILESC=C[C@H]1OC(=O)N[C@@H]1C
InChIInChI=1S/C6H9NO2/c1-3-5-4(2)7-6(8)9-5/h3-5H,1H2,2H3,(H,7,8)/t4-,5-/m1/s1
InChIKeyOAJZFTZXUQAADP-RFZPGFLSSA-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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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one (CID 134950685) is (4R,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one is C=C[C@H]1OC(=O)N[C@@H]1C.
What is the InChIKey of (4R,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is OAJZFTZXUQAADP-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H9NO2/c1-3-5-4(2)7-6(8)9-5/h3-5H,1H2,2H3,(H,7,8)/t4-,5-/m1/s1.
What are the key properties of (4R,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one?
(4R,5R)-5-ethenyl-4-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 (4R,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134950685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).