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

C9H16N2O2 — CID 59302724

IUPAC1,1,7-trimethyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCN1CCN2C(=O)OC(C)(C)C2C1
InChIInChI=1S/C9H16N2O2/c1-9(2)7-6-10(3)4-5-11(7)8(12)13-9/h7H,4-6H2,1-3H3
InChIKeyWIQSVPNHSWIPGE-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.53
Rot. Bonds

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

1,1,7-trimethyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 59302724) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1,1,7-trimethyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name1,1,7-trimethyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID59302724
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1,1,7-trimethyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCN1CCN2C(=O)OC(C)(C)C2C1
InChIInChI=1S/C9H16N2O2/c1-9(2)7-6-10(3)4-5-11(7)8(12)13-9/h7H,4-6H2,1-3H3
InChIKeyWIQSVPNHSWIPGE-UHFFFAOYSA-N
XLogP0.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,7-trimethyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 1,1,7-trimethyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 59302724) is 1,1,7-trimethyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 1,1,7-trimethyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 1,1,7-trimethyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CN1CCN2C(=O)OC(C)(C)C2C1.
What is the InChIKey of 1,1,7-trimethyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is WIQSVPNHSWIPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2)7-6-10(3)4-5-11(7)8(12)13-9/h7H,4-6H2,1-3H3.
What are the key properties of 1,1,7-trimethyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
1,1,7-trimethyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 184.24 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,7-trimethyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 59302724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).