(9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one

C10H16N2O2 — CID 177162877

IUPAC(9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
SMILESO=C1COC[C@H]2CN(C3CC3)CCN12
InChIInChI=1S/C10H16N2O2/c13-10-7-14-6-9-5-11(8-1-2-8)3-4-12(9)10/h8-9H,1-7H2/t9-/m1/s1
InChIKeySDPCLNWMHGLWDW-SECBINFHSA-N
MW196.25 g/mol
LogP-0.31
Rot. Bonds1

About (9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one

(9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one (PubChem CID 177162877) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one.

Molecular Properties

Compound Name(9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
PubChem CID177162877
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
SMILESO=C1COC[C@H]2CN(C3CC3)CCN12
InChIInChI=1S/C10H16N2O2/c13-10-7-14-6-9-5-11(8-1-2-8)3-4-12(9)10/h8-9H,1-7H2/t9-/m1/s1
InChIKeySDPCLNWMHGLWDW-SECBINFHSA-N
XLogP-0.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one with MolForge

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Related Compounds

(9aR)-8-methyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
CID 58439173
8-tert-butyl-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one
CID 167352151
2-piperidin-4-yl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862742
8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
CID 142444899
N-[(1R,3R)-3-[(9aS)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348726
(8aR)-7-(1-acetylpiperidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 77059094
(8aS)-2-[(1R,3R)-3-aminocyclopentyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 99962875
7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 163068365
(9aR)-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one;tert-butyl (9aR)-4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylate;hydrochloride
CID 159151238
2-[3-(4-oxo-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2-pyridinyl]guanidine
CID 123718457
4-piperidin-4-ylmorpholin-3-one;hydrochloride
CID 53255665
6-(hydroxymethyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-4-one
CID 164875999

Frequently Asked Questions

What is the IUPAC name of (9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one?
The IUPAC name of (9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one (CID 177162877) is (9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one.
What is the SMILES notation for (9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one?
The canonical SMILES for (9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one is O=C1COC[C@H]2CN(C3CC3)CCN12.
What is the InChIKey of (9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one?
The InChIKey is SDPCLNWMHGLWDW-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-10-7-14-6-9-5-11(8-1-2-8)3-4-12(9)10/h8-9H,1-7H2/t9-/m1/s1.
What are the key properties of (9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one?
(9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one has a molecular weight of 196.25 g/mol, XLogP of -0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-8-cyclopropyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one is sourced from PubChem (CID 177162877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).