5-ethenyl-6-[(1Z,3E)-2-propan-2-ylpenta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine

C14H21NO — CID 155154911

IUPAC5-ethenyl-6-[(1Z,3E)-2-propan-2-ylpenta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
SMILESC=CC1=C(/C=C(\C=C\C)C(C)C)OCCN1
InChIInChI=1S/C14H21NO/c1-5-7-12(11(3)4)10-14-13(6-2)15-8-9-16-14/h5-7,10-11,15H,2,8-9H2,1,3-4H3/b7-5+,12-10+
InChIKeyUSQNFINRGWQYLU-WRRYRWARSA-N
MW219.33 g/mol
LogP3.16
Rot. Bonds4

About 5-ethenyl-6-[(1Z,3E)-2-propan-2-ylpenta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine

5-ethenyl-6-[(1Z,3E)-2-propan-2-ylpenta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine (PubChem CID 155154911) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-ethenyl-6-[(1Z,3E)-2-propan-2-ylpenta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name5-ethenyl-6-[(1Z,3E)-2-propan-2-ylpenta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
PubChem CID155154911
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name5-ethenyl-6-[(1Z,3E)-2-propan-2-ylpenta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
SMILESC=CC1=C(/C=C(\C=C\C)C(C)C)OCCN1
InChIInChI=1S/C14H21NO/c1-5-7-12(11(3)4)10-14-13(6-2)15-8-9-16-14/h5-7,10-11,15H,2,8-9H2,1,3-4H3/b7-5+,12-10+
InChIKeyUSQNFINRGWQYLU-WRRYRWARSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
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-ethenyl-6-[(1Z,3E)-2-propan-2-ylpenta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 5-ethenyl-6-[(1Z,3E)-2-propan-2-ylpenta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine (CID 155154911) is 5-ethenyl-6-[(1Z,3E)-2-propan-2-ylpenta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 5-ethenyl-6-[(1Z,3E)-2-propan-2-ylpenta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 5-ethenyl-6-[(1Z,3E)-2-propan-2-ylpenta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine is C=CC1=C(/C=C(\C=C\C)C(C)C)OCCN1.
What is the InChIKey of 5-ethenyl-6-[(1Z,3E)-2-propan-2-ylpenta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is USQNFINRGWQYLU-WRRYRWARSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-7-12(11(3)4)10-14-13(6-2)15-8-9-16-14/h5-7,10-11,15H,2,8-9H2,1,3-4H3/b7-5+,12-10+.
What are the key properties of 5-ethenyl-6-[(1Z,3E)-2-propan-2-ylpenta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine?
5-ethenyl-6-[(1Z,3E)-2-propan-2-ylpenta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 219.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-[(1Z,3E)-2-propan-2-ylpenta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 155154911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).