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

C11H11NO2 — CID 92857038

IUPAC(2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one
SMILESC[C@@H]1N/C(=C/c2ccccc2)C(=O)O1
InChIInChI=1S/C11H11NO2/c1-8-12-10(11(13)14-8)7-9-5-3-2-4-6-9/h2-8,12H,1H3/b10-7+/t8-/m1/s1
InChIKeyGQARPQPZSVEUTL-RYGSOJJJSA-N
MW189.21 g/mol
LogP1.52
Rot. Bonds1

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

(2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one (PubChem CID 92857038) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one
PubChem CID92857038
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one
SMILESC[C@@H]1N/C(=C/c2ccccc2)C(=O)O1
InChIInChI=1S/C11H11NO2/c1-8-12-10(11(13)14-8)7-9-5-3-2-4-6-9/h2-8,12H,1H3/b10-7+/t8-/m1/s1
InChIKeyGQARPQPZSVEUTL-RYGSOJJJSA-N
XLogP1.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(E)-(2-methyl-5-oxo-1,3-oxazolidin-4-ylidene)methyl]phenyl] acetate
CID 21159795
(2R,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one
CID 92857050
2-phenyl-4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-oxazolidin-5-one
CID 3832882
(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazolidin-5-one
CID 70468568
(4Z)-4-benzylidene-3-methylisochromen-1-one
CID 101269564
(3R,4Z)-4-benzylidene-3-methylisochromen-1-one
CID 102435181
(5E)-5-benzylideneimidazolidine-2,4-dione;ethane
CID 91247316
4-(2-methylpropylidene)-2-phenyl-1,3-oxazolidin-5-one
CID 2754378
(6E)-6-benzylidene-3-methyloxan-2-one
CID 139265388
(3Z,5R)-3-benzylidene-5-methyl-1,4-dioxan-2-one
CID 134855366
(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
CID 6992142
cis-(2E,3S,4R)-2-benzylidene-3,4-dimethylcyclobutan-1-one
CID 134860997

Frequently Asked Questions

What is the IUPAC name of (2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one?
The IUPAC name of (2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one (CID 92857038) is (2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one.
What is the SMILES notation for (2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one?
The canonical SMILES for (2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one is C[C@@H]1N/C(=C/c2ccccc2)C(=O)O1.
What is the InChIKey of (2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one?
The InChIKey is GQARPQPZSVEUTL-RYGSOJJJSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-12-10(11(13)14-8)7-9-5-3-2-4-6-9/h2-8,12H,1H3/b10-7+/t8-/m1/s1.
What are the key properties of (2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one?
(2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one has a molecular weight of 189.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 92857038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).