4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one

C7H13NO3 — CID 117011328

IUPAC4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one
SMILESCN1C(=O)OCCC1CCO
InChIInChI=1S/C7H13NO3/c1-8-6(2-4-9)3-5-11-7(8)10/h6,9H,2-5H2,1H3
InChIKeyWYVSVKBXUSDWCN-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.21
Rot. Bonds2

About 4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one

4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one (PubChem CID 117011328) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one
PubChem CID117011328
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one
SMILESCN1C(=O)OCCC1CCO
InChIInChI=1S/C7H13NO3/c1-8-6(2-4-9)3-5-11-7(8)10/h6,9H,2-5H2,1H3
InChIKeyWYVSVKBXUSDWCN-UHFFFAOYSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one?
The IUPAC name of 4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one (CID 117011328) is 4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one is CN1C(=O)OCCC1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one?
The InChIKey is WYVSVKBXUSDWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-8-6(2-4-9)3-5-11-7(8)10/h6,9H,2-5H2,1H3.
What are the key properties of 4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one?
4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one has a molecular weight of 159.18 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 117011328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).