(1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one

C11H20N2O2 — CID 175886364

IUPAC(1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one
SMILESCCCC[C@H]1OCC(=O)N2CCNCC12
InChIInChI=1S/C11H20N2O2/c1-2-3-4-10-9-7-12-5-6-13(9)11(14)8-15-10/h9-10,12H,2-8H2,1H3/t9?,10-/m1/s1
InChIKeyOIOUBVWXBPHSAM-QVDQXJPCSA-N
MW212.29 g/mol
LogP0.38
Rot. Bonds3

About (1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one

(1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one (PubChem CID 175886364) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one.

Molecular Properties

Compound Name(1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one
PubChem CID175886364
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one
SMILESCCCC[C@H]1OCC(=O)N2CCNCC12
InChIInChI=1S/C11H20N2O2/c1-2-3-4-10-9-7-12-5-6-13(9)11(14)8-15-10/h9-10,12H,2-8H2,1H3/t9?,10-/m1/s1
InChIKeyOIOUBVWXBPHSAM-QVDQXJPCSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one?
The IUPAC name of (1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one (CID 175886364) is (1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one.
What is the SMILES notation for (1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one?
The canonical SMILES for (1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one is CCCC[C@H]1OCC(=O)N2CCNCC12.
What is the InChIKey of (1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one?
The InChIKey is OIOUBVWXBPHSAM-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-3-4-10-9-7-12-5-6-13(9)11(14)8-15-10/h9-10,12H,2-8H2,1H3/t9?,10-/m1/s1.
What are the key properties of (1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one?
(1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one has a molecular weight of 212.29 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one is sourced from PubChem (CID 175886364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).