4,4,6-trimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-oxazine

C15H19NO — CID 6444876

IUPAC4,4,6-trimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-oxazine
SMILESCC1CC(C)(C)N=C(/C=C/c2ccccc2)O1
InChIInChI=1S/C15H19NO/c1-12-11-15(2,3)16-14(17-12)10-9-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3/b10-9+
InChIKeyNCLUYJLNJLCPBH-MDZDMXLPSA-N
MW229.32 g/mol
LogP3.69
Rot. Bonds2

About 4,4,6-trimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-oxazine

4,4,6-trimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-oxazine (PubChem CID 6444876) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4,4,6-trimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name4,4,6-trimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-oxazine
PubChem CID6444876
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4,4,6-trimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-oxazine
SMILESCC1CC(C)(C)N=C(/C=C/c2ccccc2)O1
InChIInChI=1S/C15H19NO/c1-12-11-15(2,3)16-14(17-12)10-9-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3/b10-9+
InChIKeyNCLUYJLNJLCPBH-MDZDMXLPSA-N
XLogP3.69
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-oxazine?
The IUPAC name of 4,4,6-trimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-oxazine (CID 6444876) is 4,4,6-trimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 4,4,6-trimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 4,4,6-trimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-oxazine is CC1CC(C)(C)N=C(/C=C/c2ccccc2)O1.
What is the InChIKey of 4,4,6-trimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-oxazine?
The InChIKey is NCLUYJLNJLCPBH-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H19NO/c1-12-11-15(2,3)16-14(17-12)10-9-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3/b10-9+.
What are the key properties of 4,4,6-trimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-oxazine?
4,4,6-trimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-oxazine has a molecular weight of 229.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 6444876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).