1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione

C7H10N2O3 — CID 68720737

IUPAC1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione
SMILESO=C1NCC(=O)N2CCOCC12
InChIInChI=1S/C7H10N2O3/c10-6-3-8-7(11)5-4-12-2-1-9(5)6/h5H,1-4H2,(H,8,11)
InChIKeyLVNJFKKREAKLHB-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.66
Rot. Bonds

About 1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione

1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione (PubChem CID 68720737) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione.

Molecular Properties

Compound Name1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione
PubChem CID68720737
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione
SMILESO=C1NCC(=O)N2CCOCC12
InChIInChI=1S/C7H10N2O3/c10-6-3-8-7(11)5-4-12-2-1-9(5)6/h5H,1-4H2,(H,8,11)
InChIKeyLVNJFKKREAKLHB-UHFFFAOYSA-N
XLogP-1.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione?
The IUPAC name of 1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione (CID 68720737) is 1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione.
What is the SMILES notation for 1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione?
The canonical SMILES for 1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione is O=C1NCC(=O)N2CCOCC12.
What is the InChIKey of 1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione?
The InChIKey is LVNJFKKREAKLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-6-3-8-7(11)5-4-12-2-1-9(5)6/h5H,1-4H2,(H,8,11).
What are the key properties of 1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione?
1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione has a molecular weight of 170.17 g/mol, XLogP of -1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione is sourced from PubChem (CID 68720737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).