2-hexa-2,4-dienyl-5,6-dihydro-4H-1,3-oxazine

C10H15NO — CID 175495249

IUPAC2-hexa-2,4-dienyl-5,6-dihydro-4H-1,3-oxazine
SMILESCC=CC=CCC1=NCCCO1
InChIInChI=1S/C10H15NO/c1-2-3-4-5-7-10-11-8-6-9-12-10/h2-5H,6-9H2,1H3
InChIKeyOLNFNKPHCBLEQL-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.33
Rot. Bonds3

About 2-hexa-2,4-dienyl-5,6-dihydro-4H-1,3-oxazine

2-hexa-2,4-dienyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 175495249) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-hexa-2,4-dienyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-hexa-2,4-dienyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID175495249
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-hexa-2,4-dienyl-5,6-dihydro-4H-1,3-oxazine
SMILESCC=CC=CCC1=NCCCO1
InChIInChI=1S/C10H15NO/c1-2-3-4-5-7-10-11-8-6-9-12-10/h2-5H,6-9H2,1H3
InChIKeyOLNFNKPHCBLEQL-UHFFFAOYSA-N
XLogP2.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.33
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 2-hexa-2,4-dienyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-hexa-2,4-dienyl-5,6-dihydro-4H-1,3-oxazine (CID 175495249) is 2-hexa-2,4-dienyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-hexa-2,4-dienyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-hexa-2,4-dienyl-5,6-dihydro-4H-1,3-oxazine is CC=CC=CCC1=NCCCO1.
What is the InChIKey of 2-hexa-2,4-dienyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is OLNFNKPHCBLEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-4-5-7-10-11-8-6-9-12-10/h2-5H,6-9H2,1H3.
What are the key properties of 2-hexa-2,4-dienyl-5,6-dihydro-4H-1,3-oxazine?
2-hexa-2,4-dienyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 165.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexa-2,4-dienyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 175495249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).