5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dihydro-1,3-oxazine

C16H19NO — CID 154953386

IUPAC5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dihydro-1,3-oxazine
SMILESC=C/C=C\C1=C(C=C)OCN(/C(C=C)=C/C=C)C1
InChIInChI=1S/C16H19NO/c1-5-9-11-14-12-17(13-18-16(14)8-4)15(7-3)10-6-2/h5-11H,1-4,12-13H2/b11-9-,15-10+
InChIKeyQSQGFOZUYIFOGU-LFHBGGBDSA-N
MW241.33 g/mol
LogP3.71
Rot. Bonds6

About 5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dihydro-1,3-oxazine

5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dihydro-1,3-oxazine (PubChem CID 154953386) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dihydro-1,3-oxazine.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dihydro-1,3-oxazine
PubChem CID154953386
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dihydro-1,3-oxazine
SMILESC=C/C=C\C1=C(C=C)OCN(/C(C=C)=C/C=C)C1
InChIInChI=1S/C16H19NO/c1-5-9-11-14-12-17(13-18-16(14)8-4)15(7-3)10-6-2/h5-11H,1-4,12-13H2/b11-9-,15-10+
InChIKeyQSQGFOZUYIFOGU-LFHBGGBDSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dihydro-1,3-oxazine?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dihydro-1,3-oxazine (CID 154953386) is 5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dihydro-1,3-oxazine.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dihydro-1,3-oxazine?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dihydro-1,3-oxazine is C=C/C=C\C1=C(C=C)OCN(/C(C=C)=C/C=C)C1.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dihydro-1,3-oxazine?
The InChIKey is QSQGFOZUYIFOGU-LFHBGGBDSA-N. The full InChI is InChI=1S/C16H19NO/c1-5-9-11-14-12-17(13-18-16(14)8-4)15(7-3)10-6-2/h5-11H,1-4,12-13H2/b11-9-,15-10+.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dihydro-1,3-oxazine?
5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dihydro-1,3-oxazine has a molecular weight of 241.33 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-2,4-dihydro-1,3-oxazine is sourced from PubChem (CID 154953386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).