(E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione

C17H19NO3 — CID 15350552

IUPAC(E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione
SMILESCC(=O)/C=C/C(C(=O)c1ccccc1)=C1/NC(C)(C)CO1
InChIInChI=1S/C17H19NO3/c1-12(19)9-10-14(16-18-17(2,3)11-21-16)15(20)13-7-5-4-6-8-13/h4-10,18H,11H2,1-3H3/b10-9+,16-14+
InChIKeyMPZJPCJHRHIWDZ-WAJBHNFBSA-N
MW285.34 g/mol
LogP2.62
Rot. Bonds4

About (E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione

(E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione (PubChem CID 15350552) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione.

Molecular Properties

Compound Name(E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione
PubChem CID15350552
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione
SMILESCC(=O)/C=C/C(C(=O)c1ccccc1)=C1/NC(C)(C)CO1
InChIInChI=1S/C17H19NO3/c1-12(19)9-10-14(16-18-17(2,3)11-21-16)15(20)13-7-5-4-6-8-13/h4-10,18H,11H2,1-3H3/b10-9+,16-14+
InChIKeyMPZJPCJHRHIWDZ-WAJBHNFBSA-N
XLogP2.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone
CID 10932882
3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione
CID 15633447
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone
CID 132961454
ethane;4-[2-(3-oxobut-1-enyl)phenyl]but-3-en-2-one
CID 91253043
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
ethane;1-phenylpropane-1,2-dione
CID 91588764
3-hydroxy-3-methyl-1-phenylbutane-1,2-dione
CID 125490903

Frequently Asked Questions

What is the IUPAC name of (E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione?
The IUPAC name of (E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione (CID 15350552) is (E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione.
What is the SMILES notation for (E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione?
The canonical SMILES for (E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione is CC(=O)/C=C/C(C(=O)c1ccccc1)=C1/NC(C)(C)CO1.
What is the InChIKey of (E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione?
The InChIKey is MPZJPCJHRHIWDZ-WAJBHNFBSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(19)9-10-14(16-18-17(2,3)11-21-16)15(20)13-7-5-4-6-8-13/h4-10,18H,11H2,1-3H3/b10-9+,16-14+.
What are the key properties of (E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione?
(E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione has a molecular weight of 285.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylhex-3-ene-1,5-dione is sourced from PubChem (CID 15350552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).