(5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine

C6H11NO — CID 59584699

IUPAC(5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine
SMILESC[C@@H]1OC=NC[C@@H]1C
InChIInChI=1S/C6H11NO/c1-5-3-7-4-8-6(5)2/h4-6H,3H2,1-2H3/t5-,6-/m0/s1
InChIKeyDEJACQPVBQBAKP-WDSKDSINSA-N
MW113.16 g/mol
LogP1.07
Rot. Bonds

About (5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine

(5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 59584699) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name(5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID59584699
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine
SMILESC[C@@H]1OC=NC[C@@H]1C
InChIInChI=1S/C6H11NO/c1-5-3-7-4-8-6(5)2/h4-6H,3H2,1-2H3/t5-,6-/m0/s1
InChIKeyDEJACQPVBQBAKP-WDSKDSINSA-N
XLogP1.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of (5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine (CID 59584699) is (5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for (5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for (5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine is C[C@@H]1OC=NC[C@@H]1C.
What is the InChIKey of (5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is DEJACQPVBQBAKP-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-3-7-4-8-6(5)2/h4-6H,3H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine?
(5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 113.16 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 59584699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).