(4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine

C16H17NO — CID 25010936

IUPAC(4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine
SMILESC[C@@H]1C[C@H](C)N=C(c2cccc3ccccc23)O1
InChIInChI=1S/C16H17NO/c1-11-10-12(2)18-16(17-11)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,11-12H,10H2,1-2H3/t11-,12+/m0/s1
InChIKeyWPAHGBZHZVMCPI-NWDGAFQWSA-N
MW239.32 g/mol
LogP3.78
Rot. Bonds1

About (4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine

(4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 25010936) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name(4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine
PubChem CID25010936
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine
SMILESC[C@@H]1C[C@H](C)N=C(c2cccc3ccccc23)O1
InChIInChI=1S/C16H17NO/c1-11-10-12(2)18-16(17-11)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,11-12H,10H2,1-2H3/t11-,12+/m0/s1
InChIKeyWPAHGBZHZVMCPI-NWDGAFQWSA-N
XLogP3.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of (4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine (CID 25010936) is (4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for (4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for (4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine is C[C@@H]1C[C@H](C)N=C(c2cccc3ccccc23)O1.
What is the InChIKey of (4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is WPAHGBZHZVMCPI-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-10-12(2)18-16(17-11)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,11-12H,10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine?
(4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 239.32 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4,6-dimethyl-2-naphthalen-1-yl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 25010936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).