(8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane

C8H16N2O3 — CID 158421177

IUPAC(8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane
SMILESC.C.O=C1OC(=O)N2CCNC[C@H]12
InChIInChI=1S/C6H8N2O3.2CH4/c9-5-4-3-7-1-2-8(4)6(10)11-5;;/h4,7H,1-3H2;2*1H4/t4-;;/m1../s1
InChIKeyHAMWBHJJHVDTHC-RZFWHQLPSA-N
MW188.23 g/mol
LogP0.21
Rot. Bonds

About (8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane

(8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane (PubChem CID 158421177) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane.

Molecular Properties

Compound Name(8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane
PubChem CID158421177
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane
SMILESC.C.O=C1OC(=O)N2CCNC[C@H]12
InChIInChI=1S/C6H8N2O3.2CH4/c9-5-4-3-7-1-2-8(4)6(10)11-5;;/h4,7H,1-3H2;2*1H4/t4-;;/m1../s1
InChIKeyHAMWBHJJHVDTHC-RZFWHQLPSA-N
XLogP0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane with MolForge

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Related Compounds

3,8-Dioxohexahydro-3h-oxazolo[3,4-a]pyrazine
CID 169488832
Methyl 2-(acetylamino)-3-(4-methyl-piperazinyl)propanoate
CID 9964799
Ethyl octahydropyrrolo[1,2-a]pyrazine-3-carboxylate
CID 13175076
7-Methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione
CID 18713062
6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione
CID 18722348
tert-butyl 1,3-dioxotetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate
CID 18722816
Methyl 1-propanoylpiperazine-2-carboxylate
CID 54380466
(8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione
CID 59080518
tert-Butyl (8aR)-1,3-dioxotetrahydro-3H-[1,3]oxazolo[3,4-a]pyrazine-7(1H)-carboxylate
CID 59884574
Tert-butyl 1-oxo-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-5-carboxylate
CID 66797112
(8aR)-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-1-one
CID 66870718
Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-onehydrochloride
CID 67239476

Frequently Asked Questions

What is the IUPAC name of (8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane?
The IUPAC name of (8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane (CID 158421177) is (8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane.
What is the SMILES notation for (8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane?
The canonical SMILES for (8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane is C.C.O=C1OC(=O)N2CCNC[C@H]12.
What is the InChIKey of (8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane?
The InChIKey is HAMWBHJJHVDTHC-RZFWHQLPSA-N. The full InChI is InChI=1S/C6H8N2O3.2CH4/c9-5-4-3-7-1-2-8(4)6(10)11-5;;/h4,7H,1-3H2;2*1H4/t4-;;/m1../s1.
What are the key properties of (8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane?
(8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane has a molecular weight of 188.23 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane is sourced from PubChem (CID 158421177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).