(E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione

C14H22N2O4 — CID 11150237

IUPAC(E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione
SMILESCC1(C)OCCN1C(=O)/C=C/C(=O)N1CCOC1(C)C
InChIInChI=1S/C14H22N2O4/c1-13(2)15(7-9-19-13)11(17)5-6-12(18)16-8-10-20-14(16,3)4/h5-6H,7-10H2,1-4H3/b6-5+
InChIKeyMUHLWJCASWGRBS-AATRIKPKSA-N
MW282.34 g/mol
LogP0.73
Rot. Bonds2

About (E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione

(E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione (PubChem CID 11150237) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione.

Molecular Properties

Compound Name(E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione
PubChem CID11150237
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name(E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione
SMILESCC1(C)OCCN1C(=O)/C=C/C(=O)N1CCOC1(C)C
InChIInChI=1S/C14H22N2O4/c1-13(2)15(7-9-19-13)11(17)5-6-12(18)16-8-10-20-14(16,3)4/h5-6H,7-10H2,1-4H3/b6-5+
InChIKeyMUHLWJCASWGRBS-AATRIKPKSA-N
XLogP0.73
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione with MolForge

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Related Compounds

2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 11492198
2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 147851461
2-(4-bromophenyl)ethenyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 151318040
propan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate
CID 42600798
bis(2,2-dimethyl-1,3-oxazolidine-3-carbodithioate);bis(triethylazanium)
CID 86736050
N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide
CID 134086769
(2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one
CID 23645383
(2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone
CID 68874749
3-[(2,2-dimethyl-1,3-oxazolidin-3-yl)oxy]-2,2-dimethyl-1,3-oxazolidine
CID 140978929
(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone
CID 12906840
(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093702

Frequently Asked Questions

What is the IUPAC name of (E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione?
The IUPAC name of (E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione (CID 11150237) is (E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione.
What is the SMILES notation for (E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione?
The canonical SMILES for (E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione is CC1(C)OCCN1C(=O)/C=C/C(=O)N1CCOC1(C)C.
What is the InChIKey of (E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione?
The InChIKey is MUHLWJCASWGRBS-AATRIKPKSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-13(2)15(7-9-19-13)11(17)5-6-12(18)16-8-10-20-14(16,3)4/h5-6H,7-10H2,1-4H3/b6-5+.
What are the key properties of (E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione?
(E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione has a molecular weight of 282.34 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione is sourced from PubChem (CID 11150237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).