3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one

C13H22N2O3 — CID 71974035

IUPAC3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one
SMILESO=C(CN1CCCOC1=O)N1CCCCCCC1
InChIInChI=1S/C13H22N2O3/c16-12(11-15-9-6-10-18-13(15)17)14-7-4-2-1-3-5-8-14/h1-11H2
InChIKeyYEGWMNKYKQGOLP-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.62
Rot. Bonds2

About 3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one

3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one (PubChem CID 71974035) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one
PubChem CID71974035
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one
SMILESO=C(CN1CCCOC1=O)N1CCCCCCC1
InChIInChI=1S/C13H22N2O3/c16-12(11-15-9-6-10-18-13(15)17)14-7-4-2-1-3-5-8-14/h1-11H2
InChIKeyYEGWMNKYKQGOLP-UHFFFAOYSA-N
XLogP1.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
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3-[2-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one (CID 71974035) is 3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one is O=C(CN1CCCOC1=O)N1CCCCCCC1.
What is the InChIKey of 3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one?
The InChIKey is YEGWMNKYKQGOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(11-15-9-6-10-18-13(15)17)14-7-4-2-1-3-5-8-14/h1-11H2.
What are the key properties of 3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one?
3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one has a molecular weight of 254.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 71974035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).