6-methyl-5-phenyl-3,6-dihydro-2H-oxazine

C11H13NO — CID 12580586

IUPAC6-methyl-5-phenyl-3,6-dihydro-2H-oxazine
SMILESCC1ONCC=C1c1ccccc1
InChIInChI=1S/C11H13NO/c1-9-11(7-8-12-13-9)10-5-3-2-4-6-10/h2-7,9,12H,8H2,1H3
InChIKeyLDFDYZBTWVVGRU-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.99
Rot. Bonds1

About 6-methyl-5-phenyl-3,6-dihydro-2H-oxazine

6-methyl-5-phenyl-3,6-dihydro-2H-oxazine (PubChem CID 12580586) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-methyl-5-phenyl-3,6-dihydro-2H-oxazine.

Molecular Properties

Compound Name6-methyl-5-phenyl-3,6-dihydro-2H-oxazine
PubChem CID12580586
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name6-methyl-5-phenyl-3,6-dihydro-2H-oxazine
SMILESCC1ONCC=C1c1ccccc1
InChIInChI=1S/C11H13NO/c1-9-11(7-8-12-13-9)10-5-3-2-4-6-10/h2-7,9,12H,8H2,1H3
InChIKeyLDFDYZBTWVVGRU-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenyl-3,6-dihydro-2H-oxazine?
The IUPAC name of 6-methyl-5-phenyl-3,6-dihydro-2H-oxazine (CID 12580586) is 6-methyl-5-phenyl-3,6-dihydro-2H-oxazine.
What is the SMILES notation for 6-methyl-5-phenyl-3,6-dihydro-2H-oxazine?
The canonical SMILES for 6-methyl-5-phenyl-3,6-dihydro-2H-oxazine is CC1ONCC=C1c1ccccc1.
What is the InChIKey of 6-methyl-5-phenyl-3,6-dihydro-2H-oxazine?
The InChIKey is LDFDYZBTWVVGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9-11(7-8-12-13-9)10-5-3-2-4-6-10/h2-7,9,12H,8H2,1H3.
What are the key properties of 6-methyl-5-phenyl-3,6-dihydro-2H-oxazine?
6-methyl-5-phenyl-3,6-dihydro-2H-oxazine has a molecular weight of 175.23 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenyl-3,6-dihydro-2H-oxazine is sourced from PubChem (CID 12580586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).