(4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one

C7H13NO2 — CID 23246426

IUPAC(4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one
SMILESC[C@H]1[C@@H](C)NC(=O)O[C@@H]1C
InChIInChI=1S/C7H13NO2/c1-4-5(2)8-7(9)10-6(4)3/h4-6H,1-3H3,(H,8,9)/t4-,5+,6+/m0/s1
InChIKeyBEOPDTKJMRVTGC-KVQBGUIXSA-N
MW143.19 g/mol
LogP1.14
Rot. Bonds

About (4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one

(4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one (PubChem CID 23246426) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one
PubChem CID23246426
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one
SMILESC[C@H]1[C@@H](C)NC(=O)O[C@@H]1C
InChIInChI=1S/C7H13NO2/c1-4-5(2)8-7(9)10-6(4)3/h4-6H,1-3H3,(H,8,9)/t4-,5+,6+/m0/s1
InChIKeyBEOPDTKJMRVTGC-KVQBGUIXSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one with MolForge

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Related Compounds

(4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one
CID 11182889
5-hydroxy-4-methyl-1,3-oxazolidin-2-one
CID 89199038
(4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one
CID 641518
(4R,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one
CID 11147728
(4S,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 10290857
(4R)-5-(chloromethyl)-4-methyl-1,3-oxazolidin-2-one
CID 118216476
(4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one
CID 130984881
(4S,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one
CID 14841707
(4R,5S)-4-methyl-5-propyl-1,3-oxazolidin-2-one
CID 55298752
5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one
CID 44558834
5-butan-2-yl-4-methyl-1,3-oxazolidin-2-one
CID 14742430
(4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 130754451

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one?
The IUPAC name of (4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one (CID 23246426) is (4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for (4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one?
The canonical SMILES for (4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one is C[C@H]1[C@@H](C)NC(=O)O[C@@H]1C.
What is the InChIKey of (4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one?
The InChIKey is BEOPDTKJMRVTGC-KVQBGUIXSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5(2)8-7(9)10-6(4)3/h4-6H,1-3H3,(H,8,9)/t4-,5+,6+/m0/s1.
What are the key properties of (4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one?
(4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one has a molecular weight of 143.19 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 23246426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).