(7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine

C9H18N2O — CID 58294235

IUPAC(7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine
SMILESCC[C@@H]1CN2CCOC[C@@H]2CN1
InChIInChI=1S/C9H18N2O/c1-2-8-6-11-3-4-12-7-9(11)5-10-8/h8-10H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyWUYQYUIUQASZTR-BDAKNGLRSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds1

About (7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine

(7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine (PubChem CID 58294235) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine
PubChem CID58294235
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine
SMILESCC[C@@H]1CN2CCOC[C@@H]2CN1
InChIInChI=1S/C9H18N2O/c1-2-8-6-11-3-4-12-7-9(11)5-10-8/h8-10H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyWUYQYUIUQASZTR-BDAKNGLRSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine?
The IUPAC name of (7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine (CID 58294235) is (7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for (7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for (7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine is CC[C@@H]1CN2CCOC[C@@H]2CN1.
What is the InChIKey of (7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine?
The InChIKey is WUYQYUIUQASZTR-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-8-6-11-3-4-12-7-9(11)5-10-8/h8-10H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of (7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine?
(7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine has a molecular weight of 170.26 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9aS)-7-ethyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 58294235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).