7-methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione

C7H10N2O3 — CID 18713062

IUPAC7-methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione
SMILESCN1CCN2C(=O)OC(=O)C2C1
InChIInChI=1S/C7H10N2O3/c1-8-2-3-9-5(4-8)6(10)12-7(9)11/h5H,2-4H2,1H3
InChIKeyITAYIBRUOBLHAO-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.72
Rot. Bonds

About 7-methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione

7-methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione (PubChem CID 18713062) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 7-methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name7-methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione
PubChem CID18713062
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name7-methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione
SMILESCN1CCN2C(=O)OC(=O)C2C1
InChIInChI=1S/C7H10N2O3/c1-8-2-3-9-5(4-8)6(10)12-7(9)11/h5H,2-4H2,1H3
InChIKeyITAYIBRUOBLHAO-UHFFFAOYSA-N
XLogP-0.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione?
The IUPAC name of 7-methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione (CID 18713062) is 7-methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione.
What is the SMILES notation for 7-methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione?
The canonical SMILES for 7-methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione is CN1CCN2C(=O)OC(=O)C2C1.
What is the InChIKey of 7-methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione?
The InChIKey is ITAYIBRUOBLHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-8-2-3-9-5(4-8)6(10)12-7(9)11/h5H,2-4H2,1H3.
What are the key properties of 7-methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione?
7-methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione has a molecular weight of 170.17 g/mol, XLogP of -0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione is sourced from PubChem (CID 18713062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).