methyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate

C13H13NO4 — CID 10922856

IUPACmethyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate
SMILESCOC(=O)/C=C1\N[C@@H](c2ccccc2)COC1=O
InChIInChI=1S/C13H13NO4/c1-17-12(15)7-10-13(16)18-8-11(14-10)9-5-3-2-4-6-9/h2-7,11,14H,8H2,1H3/b10-7-/t11-/m1/s1
InChIKeyARIREUUUPLVFGD-ZJRUKIMVSA-N
MW247.25 g/mol
LogP0.93
Rot. Bonds2

About methyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate

methyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate (PubChem CID 10922856) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate
PubChem CID10922856
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Namemethyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate
SMILESCOC(=O)/C=C1\N[C@@H](c2ccccc2)COC1=O
InChIInChI=1S/C13H13NO4/c1-17-12(15)7-10-13(16)18-8-11(14-10)9-5-3-2-4-6-9/h2-7,11,14H,8H2,1H3/b10-7-/t11-/m1/s1
InChIKeyARIREUUUPLVFGD-ZJRUKIMVSA-N
XLogP0.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-2-(5-ethyl-2-oxomorpholin-3-ylidene)acetate
CID 70452868
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
[(3R,11R)-9-hydroxy-11-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-yl]carbamic acid
CID 118867248
ethane;4-phenyl-1,3-oxazolidine-2-thione
CID 54377215
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
methyl 3-[(3S,5S)-3-ethyl-2-oxo-5-phenylmorpholin-3-yl]propanoate
CID 11077158
methyl (2Z)-2-(8-oxo-9-oxa-6-azaspiro[4.5]decan-7-ylidene)acetate
CID 24978030
(3R,5R)-3-methyl-5-phenylmorpholin-2-one
CID 15042724
methyl 4-phenylimidazolidine-2-carboxylate
CID 121274928
(4R)-4-(4-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 171184568
methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate
CID 116980390

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate (CID 10922856) is methyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate is COC(=O)/C=C1\N[C@@H](c2ccccc2)COC1=O.
What is the InChIKey of methyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate?
The InChIKey is ARIREUUUPLVFGD-ZJRUKIMVSA-N. The full InChI is InChI=1S/C13H13NO4/c1-17-12(15)7-10-13(16)18-8-11(14-10)9-5-3-2-4-6-9/h2-7,11,14H,8H2,1H3/b10-7-/t11-/m1/s1.
What are the key properties of methyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate?
methyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate has a molecular weight of 247.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(5S)-2-oxo-5-phenylmorpholin-3-ylidene]acetate is sourced from PubChem (CID 10922856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).