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

C7H11NO2 — CID 55288362

IUPAC(4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one
SMILESC=C[C@@H]1NC(=O)OC[C@@H]1C
InChIInChI=1S/C7H11NO2/c1-3-6-5(2)4-10-7(9)8-6/h3,5-6H,1,4H2,2H3,(H,8,9)/t5-,6-/m0/s1
InChIKeyCAQOYIVZNQOEDW-WDSKDSINSA-N
MW141.17 g/mol
LogP0.92
Rot. Bonds1

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

(4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one (PubChem CID 55288362) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one
PubChem CID55288362
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one
SMILESC=C[C@@H]1NC(=O)OC[C@@H]1C
InChIInChI=1S/C7H11NO2/c1-3-6-5(2)4-10-7(9)8-6/h3,5-6H,1,4H2,2H3,(H,8,9)/t5-,6-/m0/s1
InChIKeyCAQOYIVZNQOEDW-WDSKDSINSA-N
XLogP0.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.92
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

5-ethenyl-4-methylpyrrolidin-2-one
CID 141070744
(4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one
CID 130984881
4-ethyl-5-methyl-1,3-oxazinan-2-one
CID 89458123
5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid
CID 171036716
4-methyl-1,3-oxazolidin-2-one;molecular hydrogen
CID 143507654
4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene
CID 143059431
(4R)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 2734862
4-methylsulfanyl-1,3-oxazolidin-2-one
CID 123293651
4-(but-3-en-2-yloxymethyl)-1,3-oxazolidin-2-one
CID 139668969
(4R)-4-ethynyl-1,3-oxazolidin-2-one
CID 71490383
(4S)-4-ethyl-1,3-oxazolidin-2-one
CID 7832546
(4R)-4-ethyl-1,3-oxazolidin-2-one
CID 641503

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one?
The IUPAC name of (4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one (CID 55288362) is (4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for (4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one?
The canonical SMILES for (4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one is C=C[C@@H]1NC(=O)OC[C@@H]1C.
What is the InChIKey of (4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one?
The InChIKey is CAQOYIVZNQOEDW-WDSKDSINSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-6-5(2)4-10-7(9)8-6/h3,5-6H,1,4H2,2H3,(H,8,9)/t5-,6-/m0/s1.
What are the key properties of (4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one?
(4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 55288362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).