3-ethyl-1,3-oxazinan-4-one

C6H11NO2 — CID 15561478

IUPAC3-ethyl-1,3-oxazinan-4-one
SMILESCCN1COCCC1=O
InChIInChI=1S/C6H11NO2/c1-2-7-5-9-4-3-6(7)8/h2-5H2,1H3
InChIKeyOVDNBSWFRQPTOY-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.21
Rot. Bonds1

About 3-ethyl-1,3-oxazinan-4-one

3-ethyl-1,3-oxazinan-4-one (PubChem CID 15561478) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-ethyl-1,3-oxazinan-4-one.

Molecular Properties

Compound Name3-ethyl-1,3-oxazinan-4-one
PubChem CID15561478
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-ethyl-1,3-oxazinan-4-one
SMILESCCN1COCCC1=O
InChIInChI=1S/C6H11NO2/c1-2-7-5-9-4-3-6(7)8/h2-5H2,1H3
InChIKeyOVDNBSWFRQPTOY-UHFFFAOYSA-N
XLogP0.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3-oxazinan-4-one?
The IUPAC name of 3-ethyl-1,3-oxazinan-4-one (CID 15561478) is 3-ethyl-1,3-oxazinan-4-one.
What is the SMILES notation for 3-ethyl-1,3-oxazinan-4-one?
The canonical SMILES for 3-ethyl-1,3-oxazinan-4-one is CCN1COCCC1=O.
What is the InChIKey of 3-ethyl-1,3-oxazinan-4-one?
The InChIKey is OVDNBSWFRQPTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-7-5-9-4-3-6(7)8/h2-5H2,1H3.
What are the key properties of 3-ethyl-1,3-oxazinan-4-one?
3-ethyl-1,3-oxazinan-4-one has a molecular weight of 129.16 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-oxazinan-4-one is sourced from PubChem (CID 15561478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).