(2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone

C13H15NO2 — CID 10932882

IUPAC(2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone
SMILESCC1(C)CO/C(=C/C(=O)c2ccccc2)N1
InChIInChI=1S/C13H15NO2/c1-13(2)9-16-12(14-13)8-11(15)10-6-4-3-5-7-10/h3-8,14H,9H2,1-2H3/b12-8+
InChIKeyDWROXHBWMDKWPT-XYOKQWHBSA-N
MW217.27 g/mol
LogP2.11
Rot. Bonds2

About (2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone

(2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone (PubChem CID 10932882) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone.

Molecular Properties

Compound Name(2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone
PubChem CID10932882
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone
SMILESCC1(C)CO/C(=C/C(=O)c2ccccc2)N1
InChIInChI=1S/C13H15NO2/c1-13(2)9-16-12(14-13)8-11(15)10-6-4-3-5-7-10/h3-8,14H,9H2,1-2H3/b12-8+
InChIKeyDWROXHBWMDKWPT-XYOKQWHBSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.11
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

(2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone
CID 132961454
(E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione
CID 15350552
[(Z)-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)methyl]-diphenylphosphane
CID 101051529
1-phenyl-2-(3,3,5-trimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone
CID 69215318
2-(5-chloro-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-phenylethanone
CID 69214512
2-(7-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-phenylethanone
CID 69209323
(2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone
CID 177476304
(5Z)-5-phenacylidenepyrrolidin-2-one
CID 131465370
2-(3,3-diethyl-2,4-dihydroisoquinolin-1-ylidene)-1-phenylethanone
CID 69209614
(2Z)-2-[7-(dimethylamino)-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene]-1-phenylethanone
CID 22290775
(E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one
CID 18316782
3,3-dimethyl-1-phenacylidene-2,4-dihydroisoquinoline-6-carbonitrile
CID 69214353

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone?
The IUPAC name of (2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone (CID 10932882) is (2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone.
What is the SMILES notation for (2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone?
The canonical SMILES for (2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone is CC1(C)CO/C(=C/C(=O)c2ccccc2)N1.
What is the InChIKey of (2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone?
The InChIKey is DWROXHBWMDKWPT-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(2)9-16-12(14-13)8-11(15)10-6-4-3-5-7-10/h3-8,14H,9H2,1-2H3/b12-8+.
What are the key properties of (2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone?
(2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone has a molecular weight of 217.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone is sourced from PubChem (CID 10932882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).