7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C8H12N2O3 — CID 130736686

IUPAC7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCC(=O)N1CCN2C(=O)OCC2C1
InChIInChI=1S/C8H12N2O3/c1-6(11)9-2-3-10-7(4-9)5-13-8(10)12/h7H,2-5H2,1H3
InChIKeyDPRDMTZEDUANHK-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.33
Rot. Bonds

About 7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 130736686) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID130736686
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCC(=O)N1CCN2C(=O)OCC2C1
InChIInChI=1S/C8H12N2O3/c1-6(11)9-2-3-10-7(4-9)5-13-8(10)12/h7H,2-5H2,1H3
InChIKeyDPRDMTZEDUANHK-UHFFFAOYSA-N
XLogP-0.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 130736686) is 7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is CC(=O)N1CCN2C(=O)OCC2C1.
What is the InChIKey of 7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is DPRDMTZEDUANHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6(11)9-2-3-10-7(4-9)5-13-8(10)12/h7H,2-5H2,1H3.
What are the key properties of 7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 184.19 g/mol, XLogP of -0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 130736686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).