3-methyl-6-propan-2-yl-1,3-oxazinan-2-one

C8H15NO2 — CID 167255146

IUPAC3-methyl-6-propan-2-yl-1,3-oxazinan-2-one
SMILESCC(C)C1CCN(C)C(=O)O1
InChIInChI=1S/C8H15NO2/c1-6(2)7-4-5-9(3)8(10)11-7/h6-7H,4-5H2,1-3H3
InChIKeyPIZNKUWAXHOFGJ-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.48
Rot. Bonds1

About 3-methyl-6-propan-2-yl-1,3-oxazinan-2-one

3-methyl-6-propan-2-yl-1,3-oxazinan-2-one (PubChem CID 167255146) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-1,3-oxazinan-2-one
PubChem CID167255146
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-methyl-6-propan-2-yl-1,3-oxazinan-2-one
SMILESCC(C)C1CCN(C)C(=O)O1
InChIInChI=1S/C8H15NO2/c1-6(2)7-4-5-9(3)8(10)11-7/h6-7H,4-5H2,1-3H3
InChIKeyPIZNKUWAXHOFGJ-UHFFFAOYSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-1,3-oxazinan-2-one?
The IUPAC name of 3-methyl-6-propan-2-yl-1,3-oxazinan-2-one (CID 167255146) is 3-methyl-6-propan-2-yl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-methyl-6-propan-2-yl-1,3-oxazinan-2-one?
The canonical SMILES for 3-methyl-6-propan-2-yl-1,3-oxazinan-2-one is CC(C)C1CCN(C)C(=O)O1.
What is the InChIKey of 3-methyl-6-propan-2-yl-1,3-oxazinan-2-one?
The InChIKey is PIZNKUWAXHOFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)7-4-5-9(3)8(10)11-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-methyl-6-propan-2-yl-1,3-oxazinan-2-one?
3-methyl-6-propan-2-yl-1,3-oxazinan-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-1,3-oxazinan-2-one is sourced from PubChem (CID 167255146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).