ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione

C17H28N2O4 — CID 177009783

IUPACethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione
SMILESC/C=c1/oc(=O)n(C2CCC(=O)NC2=O)/c1=C/CC.CC.CC
InChIInChI=1S/C13H16N2O4.2C2H6/c1-3-5-8-10(4-2)19-13(18)15(8)9-6-7-11(16)14-12(9)17;2*1-2/h4-5,9H,3,6-7H2,1-2H3,(H,14,16,17);2*1-2H3/b8-5+,10-4+;;
InChIKeyKRIMRUDXNRQXCK-FLIZWYPASA-N
MW324.42 g/mol
LogP1.46
Rot. Bonds2

About ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione

ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione (PubChem CID 177009783) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione
PubChem CID177009783
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Nameethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione
SMILESC/C=c1/oc(=O)n(C2CCC(=O)NC2=O)/c1=C/CC.CC.CC
InChIInChI=1S/C13H16N2O4.2C2H6/c1-3-5-8-10(4-2)19-13(18)15(8)9-6-7-11(16)14-12(9)17;2*1-2/h4-5,9H,3,6-7H2,1-2H3,(H,14,16,17);2*1-2H3/b8-5+,10-4+;;
InChIKeyKRIMRUDXNRQXCK-FLIZWYPASA-N
XLogP1.46
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione
CID 177318647
3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione
CID 177338862
3-(6-ethyl-7-fluoro-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 176558678
3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione
CID 171786204
2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 167594496
3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 156858542
3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155484473
(3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen
CID 163252926
3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155177543
3-(7-bromo-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 138695883
3-[7-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 171781790
3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 163611115

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione?
The IUPAC name of ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione (CID 177009783) is ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione.
What is the SMILES notation for ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione?
The canonical SMILES for ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione is C/C=c1/oc(=O)n(C2CCC(=O)NC2=O)/c1=C/CC.CC.CC.
What is the InChIKey of ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione?
The InChIKey is KRIMRUDXNRQXCK-FLIZWYPASA-N. The full InChI is InChI=1S/C13H16N2O4.2C2H6/c1-3-5-8-10(4-2)19-13(18)15(8)9-6-7-11(16)14-12(9)17;2*1-2/h4-5,9H,3,6-7H2,1-2H3,(H,14,16,17);2*1-2H3/b8-5+,10-4+;;.
What are the key properties of ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione?
ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione has a molecular weight of 324.42 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 177009783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).