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

C13H19NO — CID 166866089

IUPAC5-ethenyl-6-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
SMILESC=CC1=C(/C=C(\C=C)C(C)C)OCCN1
InChIInChI=1S/C13H19NO/c1-5-11(10(3)4)9-13-12(6-2)14-7-8-15-13/h5-6,9-10,14H,1-2,7-8H2,3-4H3/b11-9+
InChIKeyVXDJCWZILVKLQK-PKNBQFBNSA-N
MW205.30 g/mol
LogP2.77
Rot. Bonds4

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

5-ethenyl-6-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine (PubChem CID 166866089) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-ethenyl-6-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name5-ethenyl-6-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
PubChem CID166866089
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-ethenyl-6-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
SMILESC=CC1=C(/C=C(\C=C)C(C)C)OCCN1
InChIInChI=1S/C13H19NO/c1-5-11(10(3)4)9-13-12(6-2)14-7-8-15-13/h5-6,9-10,14H,1-2,7-8H2,3-4H3/b11-9+
InChIKeyVXDJCWZILVKLQK-PKNBQFBNSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.77
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)-2-propan-2-ylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 5-ethenyl-6-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine (CID 166866089) is 5-ethenyl-6-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 5-ethenyl-6-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 5-ethenyl-6-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine is C=CC1=C(/C=C(\C=C)C(C)C)OCCN1.
What is the InChIKey of 5-ethenyl-6-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is VXDJCWZILVKLQK-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-11(10(3)4)9-13-12(6-2)14-7-8-15-13/h5-6,9-10,14H,1-2,7-8H2,3-4H3/b11-9+.
What are the key properties of 5-ethenyl-6-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine?
5-ethenyl-6-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 205.30 g/mol, XLogP of 2.77, 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)-2-propan-2-ylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 166866089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).