6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine

C10H15NO — CID 87096481

IUPAC6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine
SMILESC=C/C=C\C1=C(CC)NCCO1
InChIInChI=1S/C10H15NO/c1-3-5-6-10-9(4-2)11-7-8-12-10/h3,5-6,11H,1,4,7-8H2,2H3/b6-5-
InChIKeyXLWHRDHJAGZGBG-WAYWQWQTSA-N
MW165.24 g/mol
LogP1.97
Rot. Bonds3

About 6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine

6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine (PubChem CID 87096481) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine
PubChem CID87096481
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine
SMILESC=C/C=C\C1=C(CC)NCCO1
InChIInChI=1S/C10H15NO/c1-3-5-6-10-9(4-2)11-7-8-12-10/h3,5-6,11H,1,4,7-8H2,2H3/b6-5-
InChIKeyXLWHRDHJAGZGBG-WAYWQWQTSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.97
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 6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine (CID 87096481) is 6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine is C=C/C=C\C1=C(CC)NCCO1.
What is the InChIKey of 6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is XLWHRDHJAGZGBG-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-5-6-10-9(4-2)11-7-8-12-10/h3,5-6,11H,1,4,7-8H2,2H3/b6-5-.
What are the key properties of 6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine?
6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 165.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 87096481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).