3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione

C14H16N2O4 — CID 156795515

IUPAC3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
SMILESC=C/C=C(\C=C)C1CN(C2CCC(=O)NC2=O)C(=O)O1
InChIInChI=1S/C14H16N2O4/c1-3-5-9(4-2)11-8-16(14(19)20-11)10-6-7-12(17)15-13(10)18/h3-5,10-11H,1-2,6-8H2,(H,15,17,18)/b9-5+
InChIKeyZQGVNJCYPUCMPR-WEVVVXLNSA-N
MW276.29 g/mol
LogP0.91
Rot. Bonds4

About 3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione

3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione (PubChem CID 156795515) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
PubChem CID156795515
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
SMILESC=C/C=C(\C=C)C1CN(C2CCC(=O)NC2=O)C(=O)O1
InChIInChI=1S/C14H16N2O4/c1-3-5-9(4-2)11-8-16(14(19)20-11)10-6-7-12(17)15-13(10)18/h3-5,10-11H,1-2,6-8H2,(H,15,17,18)/b9-5+
InChIKeyZQGVNJCYPUCMPR-WEVVVXLNSA-N
XLogP0.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione
CID 177339089
3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione
CID 134580084
3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 151819661
3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 162504409
ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione
CID 172570194
3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 177212209
3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione
CID 171565227
3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 144997340
3-(5-ethenyl-4-ethyl-2,3-dihydropyrrol-1-yl)piperidine-2,6-dione
CID 176988089
ethane;3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane
CID 177212208
3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 163697786
3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
CID 154993594

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione (CID 156795515) is 3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione is C=C/C=C(\C=C)C1CN(C2CCC(=O)NC2=O)C(=O)O1.
What is the InChIKey of 3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione?
The InChIKey is ZQGVNJCYPUCMPR-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-5-9(4-2)11-8-16(14(19)20-11)10-6-7-12(17)15-13(10)18/h3-5,10-11H,1-2,6-8H2,(H,15,17,18)/b9-5+.
What are the key properties of 3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione?
3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione has a molecular weight of 276.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 156795515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).