5,5-diethyl-1,3-oxazinane-2,4-dione

C8H13NO3 — CID 12798

💊View drug profile → diethadione
IUPAC5,5-diethyl-1,3-oxazinane-2,4-dione
SMILESCCC1(CC)COC(=O)NC1=O
InChIInChI=1S/C8H13NO3/c1-3-8(4-2)5-12-7(11)9-6(8)10/h3-5H2,1-2H3,(H,9,10,11)
InChIKeyORTYMGHCFWKXHO-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.06
Rot. Bonds2

About 5,5-diethyl-1,3-oxazinane-2,4-dione

5,5-diethyl-1,3-oxazinane-2,4-dione (PubChem CID 12798) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5,5-diethyl-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-1,3-oxazinane-2,4-dione
PubChem CID12798
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name5,5-diethyl-1,3-oxazinane-2,4-dione
SMILESCCC1(CC)COC(=O)NC1=O
InChIInChI=1S/C8H13NO3/c1-3-8(4-2)5-12-7(11)9-6(8)10/h3-5H2,1-2H3,(H,9,10,11)
InChIKeyORTYMGHCFWKXHO-UHFFFAOYSA-N
XLogP1.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-5-methyl-5-propyl-5,6-dihydro-2H-1,3-oxazin-2-one
CID 11971072
4-Hydroxy-5,5-dipropyl-5,6-dihydro-2H-1,3-oxazin-2-one
CID 11971081
2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5-ethyl-5-methyl-
CID 3063935
2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-diethyl-3-methyl-
CID 11971073
5-Propan-2-yl-1,3-oxazinane-2,4-dione
CID 58034271
5-Ethyl-1,3-oxazinane-2,4-dione
CID 91602644
Methane;5-propan-2-yl-1,3-oxazinane-2,4-dione
CID 158364746

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1,3-oxazinane-2,4-dione?
The IUPAC name of 5,5-diethyl-1,3-oxazinane-2,4-dione (CID 12798) is 5,5-diethyl-1,3-oxazinane-2,4-dione.
What is the SMILES notation for 5,5-diethyl-1,3-oxazinane-2,4-dione?
The canonical SMILES for 5,5-diethyl-1,3-oxazinane-2,4-dione is CCC1(CC)COC(=O)NC1=O.
What is the InChIKey of 5,5-diethyl-1,3-oxazinane-2,4-dione?
The InChIKey is ORTYMGHCFWKXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-8(4-2)5-12-7(11)9-6(8)10/h3-5H2,1-2H3,(H,9,10,11).
What are the key properties of 5,5-diethyl-1,3-oxazinane-2,4-dione?
5,5-diethyl-1,3-oxazinane-2,4-dione has a molecular weight of 171.20 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 12798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).