(3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine

C11H13NO — CID 146675162

IUPAC(3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine
SMILESC[C@H]1CO[C@H](c2ccccc2)C=N1
InChIInChI=1S/C11H13NO/c1-9-8-13-11(7-12-9)10-5-3-2-4-6-10/h2-7,9,11H,8H2,1H3/t9-,11-/m0/s1
InChIKeyQTYHJXFOYPSSBA-ONGXEEELSA-N
MW175.23 g/mol
LogP2.22
Rot. Bonds1

About (3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine

(3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine (PubChem CID 146675162) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name(3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine
PubChem CID146675162
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine
SMILESC[C@H]1CO[C@H](c2ccccc2)C=N1
InChIInChI=1S/C11H13NO/c1-9-8-13-11(7-12-9)10-5-3-2-4-6-10/h2-7,9,11H,8H2,1H3/t9-,11-/m0/s1
InChIKeyQTYHJXFOYPSSBA-ONGXEEELSA-N
XLogP2.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine?
The IUPAC name of (3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine (CID 146675162) is (3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine.
What is the SMILES notation for (3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine?
The canonical SMILES for (3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine is C[C@H]1CO[C@H](c2ccccc2)C=N1.
What is the InChIKey of (3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine?
The InChIKey is QTYHJXFOYPSSBA-ONGXEEELSA-N. The full InChI is InChI=1S/C11H13NO/c1-9-8-13-11(7-12-9)10-5-3-2-4-6-10/h2-7,9,11H,8H2,1H3/t9-,11-/m0/s1.
What are the key properties of (3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine?
(3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine has a molecular weight of 175.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 146675162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).