ethane;3-methyl-1,3-oxazinan-4-one

C7H15NO2 — CID 143223371

IUPACethane;3-methyl-1,3-oxazinan-4-one
SMILESCC.CN1COCCC1=O
InChIInChI=1S/C5H9NO2.C2H6/c1-6-4-8-3-2-5(6)7;1-2/h2-4H2,1H3;1-2H3
InChIKeyGJGUZRHMFVIKKB-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.85
Rot. Bonds

About ethane;3-methyl-1,3-oxazinan-4-one

ethane;3-methyl-1,3-oxazinan-4-one (PubChem CID 143223371) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethane;3-methyl-1,3-oxazinan-4-one.

Molecular Properties

Compound Nameethane;3-methyl-1,3-oxazinan-4-one
PubChem CID143223371
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethane;3-methyl-1,3-oxazinan-4-one
SMILESCC.CN1COCCC1=O
InChIInChI=1S/C5H9NO2.C2H6/c1-6-4-8-3-2-5(6)7;1-2/h2-4H2,1H3;1-2H3
InChIKeyGJGUZRHMFVIKKB-UHFFFAOYSA-N
XLogP0.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,3-oxazinan-4-one?
The IUPAC name of ethane;3-methyl-1,3-oxazinan-4-one (CID 143223371) is ethane;3-methyl-1,3-oxazinan-4-one.
What is the SMILES notation for ethane;3-methyl-1,3-oxazinan-4-one?
The canonical SMILES for ethane;3-methyl-1,3-oxazinan-4-one is CC.CN1COCCC1=O.
What is the InChIKey of ethane;3-methyl-1,3-oxazinan-4-one?
The InChIKey is GJGUZRHMFVIKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C2H6/c1-6-4-8-3-2-5(6)7;1-2/h2-4H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1,3-oxazinan-4-one?
ethane;3-methyl-1,3-oxazinan-4-one has a molecular weight of 145.20 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,3-oxazinan-4-one is sourced from PubChem (CID 143223371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).