5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one

C7H13NO3 — CID 58464075

IUPAC5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one
SMILESCOC1CNC(=O)OC1(C)C
InChIInChI=1S/C7H13NO3/c1-7(2)5(10-3)4-8-6(9)11-7/h5H,4H2,1-3H3,(H,8,9)
InChIKeyANHHERBVYQLEGK-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.52
Rot. Bonds1

About 5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one

5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one (PubChem CID 58464075) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one
PubChem CID58464075
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one
SMILESCOC1CNC(=O)OC1(C)C
InChIInChI=1S/C7H13NO3/c1-7(2)5(10-3)4-8-6(9)11-7/h5H,4H2,1-3H3,(H,8,9)
InChIKeyANHHERBVYQLEGK-UHFFFAOYSA-N
XLogP0.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-methoxy-6,6-dimethyloxan-2-one
CID 101461458
5-methoxy-6,6-dimethyloxan-2-one
CID 153365185
5-methoxy-1,3-oxazinan-2-one
CID 168972110
5-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 82049149
8-methoxy-1-oxa-3-azaspiro[4.5]decan-2-one
CID 112704509
5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 82049150
(4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one
CID 89119119
6-tert-butyl-6-methyl-1,3-oxazinan-2-one
CID 105434756
(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 97054788
(5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane
CID 157467427
(4R,5S)-5-ethyl-4-methoxy-5-(methoxymethyl)oxolan-2-one
CID 101002966
5-(2-methoxyethyl)-1,3-oxazolidin-2-one
CID 117158748

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of 5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one (CID 58464075) is 5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for 5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for 5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one is COC1CNC(=O)OC1(C)C.
What is the InChIKey of 5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one?
The InChIKey is ANHHERBVYQLEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2)5(10-3)4-8-6(9)11-7/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of 5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one?
5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one has a molecular weight of 159.18 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 58464075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).