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

C8H16N2O — CID 59215818

IUPAC(7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine
SMILESC[C@@H]1CN2CCOCC2CN1
InChIInChI=1S/C8H16N2O/c1-7-5-10-2-3-11-6-8(10)4-9-7/h7-9H,2-6H2,1H3/t7-,8?/m1/s1
InChIKeyWCRSYQVCIQHCHN-GVHYBUMESA-N
MW156.23 g/mol
LogP-0.32
Rot. Bonds

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

(7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine (PubChem CID 59215818) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine
PubChem CID59215818
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine
SMILESC[C@@H]1CN2CCOCC2CN1
InChIInChI=1S/C8H16N2O/c1-7-5-10-2-3-11-6-8(10)4-9-7/h7-9H,2-6H2,1H3/t7-,8?/m1/s1
InChIKeyWCRSYQVCIQHCHN-GVHYBUMESA-N
XLogP-0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine?
The IUPAC name of (7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine (CID 59215818) is (7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for (7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for (7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine is C[C@@H]1CN2CCOCC2CN1.
What is the InChIKey of (7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine?
The InChIKey is WCRSYQVCIQHCHN-GVHYBUMESA-N. The full InChI is InChI=1S/C8H16N2O/c1-7-5-10-2-3-11-6-8(10)4-9-7/h7-9H,2-6H2,1H3/t7-,8?/m1/s1.
What are the key properties of (7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine?
(7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine has a molecular weight of 156.23 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 59215818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).