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

C6H8N2O3 — CID 59080518

IUPAC(8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione
SMILESO=C1OC(=O)N2CCNC[C@H]12
InChIInChI=1S/C6H8N2O3/c9-5-4-3-7-1-2-8(4)6(10)11-5/h4,7H,1-3H2/t4-/m1/s1
InChIKeyVIGJSGVWJDAZTH-SCSAIBSYSA-N
MW156.14 g/mol
LogP-1.06
Rot. Bonds

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

(8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione (PubChem CID 59080518) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is (8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name(8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione
PubChem CID59080518
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name(8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione
SMILESO=C1OC(=O)N2CCNC[C@H]12
InChIInChI=1S/C6H8N2O3/c9-5-4-3-7-1-2-8(4)6(10)11-5/h4,7H,1-3H2/t4-/m1/s1
InChIKeyVIGJSGVWJDAZTH-SCSAIBSYSA-N
XLogP-1.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-1.06
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 with MolForge

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Related Compounds

Hexahydro-oxazolo[3,4-a]pyrazin-3-one hydrochloride
CID 42614578
(S)-Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one
CID 23655052
Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one
CID 22562207
(R)-Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one
CID 27282253
(S)-Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one hydrochloride
CID 23655051
3,8-Dioxohexahydro-3h-oxazolo[3,4-a]pyrazine
CID 169488832
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
(R)-Tetrahydro-1H-oxazolo[3,4-A]pyrazin-3(5H)-one hydrochloride
CID 42614224
4-(Ethylaminomethyl)-1,3-oxazolidine-2,5-dione
CID 60076810
(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?
The IUPAC name of (8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione (CID 59080518) is (8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione.
What is the SMILES notation for (8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione?
The canonical SMILES for (8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione is 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?
The InChIKey is VIGJSGVWJDAZTH-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8N2O3/c9-5-4-3-7-1-2-8(4)6(10)11-5/h4,7H,1-3H2/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?
(8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione has a molecular weight of 156.14 g/mol, XLogP of -1.06, 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 is sourced from PubChem (CID 59080518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).