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

C8H15NO2 — CID 156532561

IUPAC5-methyl-3-propan-2-yl-1,3-oxazinan-2-one
SMILESCC1COC(=O)N(C(C)C)C1
InChIInChI=1S/C8H15NO2/c1-6(2)9-4-7(3)5-11-8(9)10/h6-7H,4-5H2,1-3H3
InChIKeyMXQGYCAKYJIQQZ-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.48
Rot. Bonds1

About 5-methyl-3-propan-2-yl-1,3-oxazinan-2-one

5-methyl-3-propan-2-yl-1,3-oxazinan-2-one (PubChem CID 156532561) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-1,3-oxazinan-2-one
PubChem CID156532561
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name5-methyl-3-propan-2-yl-1,3-oxazinan-2-one
SMILESCC1COC(=O)N(C(C)C)C1
InChIInChI=1S/C8H15NO2/c1-6(2)9-4-7(3)5-11-8(9)10/h6-7H,4-5H2,1-3H3
InChIKeyMXQGYCAKYJIQQZ-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 5-methyl-3-propan-2-yl-1,3-oxazinan-2-one?
The IUPAC name of 5-methyl-3-propan-2-yl-1,3-oxazinan-2-one (CID 156532561) is 5-methyl-3-propan-2-yl-1,3-oxazinan-2-one.
What is the SMILES notation for 5-methyl-3-propan-2-yl-1,3-oxazinan-2-one?
The canonical SMILES for 5-methyl-3-propan-2-yl-1,3-oxazinan-2-one is CC1COC(=O)N(C(C)C)C1.
What is the InChIKey of 5-methyl-3-propan-2-yl-1,3-oxazinan-2-one?
The InChIKey is MXQGYCAKYJIQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)9-4-7(3)5-11-8(9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-methyl-3-propan-2-yl-1,3-oxazinan-2-one?
5-methyl-3-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 5-methyl-3-propan-2-yl-1,3-oxazinan-2-one is sourced from PubChem (CID 156532561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).