[(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate

C9H13NO4 — CID 72711553

IUPAC[(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate
SMILESC=C[C@@H](OC(C)=O)[C@H]1CCNC(=O)O1
InChIInChI=1S/C9H13NO4/c1-3-7(13-6(2)11)8-4-5-10-9(12)14-8/h3,7-8H,1,4-5H2,2H3,(H,10,12)/t7-,8-/m1/s1
InChIKeyHJZLRNNESKXVOT-HTQZYQBOSA-N
MW199.21 g/mol
LogP0.60
Rot. Bonds3

About [(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate

[(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate (PubChem CID 72711553) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is [(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate.

Molecular Properties

Compound Name[(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate
PubChem CID72711553
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name[(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate
SMILESC=C[C@@H](OC(C)=O)[C@H]1CCNC(=O)O1
InChIInChI=1S/C9H13NO4/c1-3-7(13-6(2)11)8-4-5-10-9(12)14-8/h3,7-8H,1,4-5H2,2H3,(H,10,12)/t7-,8-/m1/s1
InChIKeyHJZLRNNESKXVOT-HTQZYQBOSA-N
XLogP0.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-cyclohexylprop-2-enyl] acetate
CID 102474246
[acetyloxy-[7,8-bis(diacetyloxymethyl)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonan-6-yl]methyl] acetate
CID 57084219
[(1S)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]prop-2-enyl] acetate
CID 638928
[(2R)-but-3-en-2-yl] acetate
CID 11378468
[(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]but-3-enyl] acetate
CID 135039810
[(2S)-1-[(2S,5S,6R)-5-hydroxy-6-methyl-7-oxooxepan-2-yl]propan-2-yl] acetate
CID 10776677
[(3R,7S)-7-acetyloxynona-1,8-dien-3-yl] acetate
CID 92532320
5-(2,4-dimethylpentan-3-yl)-1,3-oxazolidin-2-one
CID 130517363
(2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate
CID 145013118
[(3S)-3-amino-1-(cyclopropylamino)-1-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl] acetate
CID 171088245
(3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one
CID 163537974
[(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate
CID 146167866

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate?
The IUPAC name of [(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate (CID 72711553) is [(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate.
What is the SMILES notation for [(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate?
The canonical SMILES for [(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate is C=C[C@@H](OC(C)=O)[C@H]1CCNC(=O)O1.
What is the InChIKey of [(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate?
The InChIKey is HJZLRNNESKXVOT-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H13NO4/c1-3-7(13-6(2)11)8-4-5-10-9(12)14-8/h3,7-8H,1,4-5H2,2H3,(H,10,12)/t7-,8-/m1/s1.
What are the key properties of [(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate?
[(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate has a molecular weight of 199.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(6R)-2-oxo-1,3-oxazinan-6-yl]prop-2-enyl] acetate is sourced from PubChem (CID 72711553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).